2-氟苯甲酰胺(445-28-3)質(zhì)譜(MS)

產(chǎn)品名稱:2-氟苯甲酰胺

CAS:445-28-3

分子式:C7H6FNO

分子量: 139.13

InChI:InChI=1S/C7H6FNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)

InChIKey: KGGHWIKBOIQEAJ-UHFFFAOYSA-N

Smiles:C(N)(=O)C1=CC=CC=C1F

Mass

MS-NW-6916          
o-fluorobenzamide
C7H6FNO             (Mass of molecular ion:    139)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      31.0       1.3
      37.0       2.2
      38.0       2.1
      39.0       2.3
      44.0       8.7
      49.0       1.6
      50.0       9.2
      51.0       4.9
      52.0       1.1
      55.5       1.8
      57.0       2.4
      61.0       1.8
      62.0       1.9
      63.0       2.5
      68.0       4.4
      69.0       6.0
      70.0       3.7
      73.0       1.5
      74.0       6.9
      75.0      23.2
      76.0       3.3
      83.0       2.0
      92.0       1.3
      93.0       1.8
      94.0       5.2
      95.0      45.4
      96.0       8.9
     121.0       3.5
     122.0       1.2
     123.0     100.0
     124.0       8.3
     139.0      62.1
     140.0       5.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ F N O	0.040 g : 0.5 ml DMSO-d₆
o-fluorobenzamide

    Assign.     Shift(ppm)

      A     *1      7.75
      B             7.685
      C     *1      7.68
      D             7.530
      E             7.28

     Hz     ppm     Int.

   3095.21   7.745    177
   3080.32   7.708    269
   3078.61   7.704    304
   3073.00   7.690    521
   3071.04   7.685    630
   3065.80   7.672    285
   3065.06   7.670    301
   3063.48   7.666    330
   3021.24   7.560    134
   3019.41   7.556    137
   3015.99   7.547    147
   3014.04   7.542    284
   3012.82   7.539    206
   3012.08   7.537    203
   3011.11   7.535    184
   3008.54   7.528    205
   3007.81   7.527    208
   3006.35   7.523    281
   3005.74   7.521    245
   3003.78   7.517    176
   3000.37   7.508    181
   2998.54   7.503    162
   2919.31   7.305    368
   2917.36   7.300    420
   2916.26   7.298    355
   2909.91   7.282    705
   2908.81   7.279   1000
   2904.79   7.269     46
   2902.34   7.263    295
   2901.25   7.260    539

in DMSO-d6

in CDCl3