2,3-Difluorophenol (6418-38-8) MS

Product Name2,3-Difluorophenol

CAS 6418-38-8

Molecular FormulaC6H4F2O

Molecular Weight130.09

InChIInChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

InChIKey RPEPGIOVXBBUMJ-UHFFFAOYSA-N

SmilesC1(O)=CC=CC(F)=C1F

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Mass

MS-NW-7628          
2,3-difluorophenol
C6H4F2O             (Mass of molecular ion:    130)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       1.6
      29.0       1.2
      31.0       5.2
      37.0       2.1
      38.0       1.8
      39.0       1.6
      50.0       3.3
      51.0       5.9
      52.0       2.4
      53.0       2.1
      55.0       1.0
      56.0       3.5
      57.0       4.8
      61.0       2.3
      62.0       2.4
      63.0       9.2
      65.0       2.6
      68.0       1.4
      75.0       7.0
      76.0       2.0
      80.0       1.2
      81.0      10.5
      82.0      35.1
      83.0       4.0
      91.0       2.7
      99.0       1.7
     101.0      20.5
     102.0       7.6
     110.0       4.5
     129.0       1.5
     130.0     100.0
     131.0       6.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₂ O	0.05 g : 0.5 ml CDCl₃
2,3-difluorophenol

    Assign.     Shift(ppm)

      A             6.929
      B             6.779
      C             6.712
      D             5.81

     Hz     ppm     Int.

   2782.84   6.964    297
   2780.64   6.958    293
   2777.10   6.949    303
   2774.41   6.943    783
   2772.09   6.937    708
   2768.68   6.928    715
   2766.36   6.922    898
   2763.67   6.916    478
   2760.25   6.907    464
   2758.06   6.902    468
   2718.51   6.803    418
   2716.92   6.799    773
   2715.21   6.794    480
   2711.06   6.784    465
   2709.47   6.780    879
   2708.37   6.777    768
   2706.79   6.773    406
   2702.64   6.763    354
   2701.05   6.759    607
   2699.34   6.755    362
   2695.68   6.746    454
   2694.09   6.742    389
   2692.02   6.736     45
   2691.16   6.734     42
   2688.60   6.728    477
   2687.13   6.724    711
   2685.67   6.721    747
   2684.20   6.717    434
   2680.18   6.707    410
   2678.71   6.703    739
   2677.25   6.699    717
   2675.78   6.696    372
   2672.85   6.688     39
   2670.29   6.682    365
   2668.70   6.678    334
   2321.17   5.809   1000

in CDCl3