349-96-2

对硝基苯甲磺酰氟(349-96-2)质谱(MS)

产品名称:对硝基苯甲磺酰氟

CAS:349-96-2

分子式:C6H4FNO4S

分子量: 205.16

InChI:InChI=1S/C6H4FNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H

InChIKey: HRLAPUHJWRZEIC-UHFFFAOYSA-N

Smiles:C1(S(F)(=O)=O)=CC=C([N+]([O-])=O)C=C1

Mass

MS-NW-8014          
p-nitrobenzenesulfonyl fluoride
C6H4FNO4S           (Mass of molecular ion:    205)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      28.0       4.2
      30.0      55.4
      37.0       2.5
      38.0       5.3
      39.0       3.7
      44.0       1.2
      45.0       1.6
      49.0       1.1
      50.0      40.6
      51.0       4.5
      52.0       6.9
      53.0       1.3
      57.0       1.4
      59.0       1.2
      61.0       1.7
      62.0       3.6
      63.0      14.7
      64.0      27.6
      65.0       1.5
      67.0      18.7
      69.0       2.5
      73.0       2.7
      74.0      19.1
      75.0      74.6
      76.0      25.3
      77.0       1.6
      79.0       1.9
      80.0      12.1
      82.0       2.2
      83.0      11.3
      92.0      74.5
      93.0       5.4
      95.0      14.1
      96.0       1.2
     101.0       1.0
     107.0       2.5
     108.0       5.2
     110.0       1.3
     111.0       1.8
     122.0       3.2
     147.0       1.9
     159.0      54.7
     160.0       4.4
     161.0       2.8
     175.0       2.1
     189.0       2.7
     205.0     100.0
     206.0       8.5
     207.0       5.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F N O₄ S	0.031 g : 0.5 ml CDCl₃
p-nitrobenzenesulfonyl fluoride

    Assign.     Shift(ppm)

      A             8.501
      B             8.258

     Hz     ppm     Int.

   3405.52   8.522     71
   3404.66   8.520     97
   3403.32   8.516    498
   3402.34   8.514    597
   3400.27   8.509    191
   3396.24   8.499    203
   3394.17   8.493    700
   3393.19   8.491    629
   3390.99   8.485    103
   3308.96   8.280     24
   3306.76   8.275    134
   3304.44   8.269   1000
   3302.61   8.264    287
   3297.49   8.251    262
   3295.65   8.247    820
   3293.33   8.241    105

in CDCl3