2,5-Difluorophenol(2713-31-7) MS
Product Name2,5-Difluorophenol
CAS2713-31-7
Molecular FormulaC6H4F2O
Molecular Weight130.09
InChIInChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey INXKVYFOWNAVMU-UHFFFAOYSA-N
SmilesC1(O)=CC(F)=CC=C1F
-
MassMS-IW-9231 2,5-difluorophenol C6H4F2O (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 5.6 37.0 1.8 38.0 1.8 50.0 2.8 51.0 6.7 52.0 1.5 53.0 1.3 55.0 1.5 56.0 3.6 57.0 7.1 61.0 2.2 62.0 2.3 63.0 13.4 64.0 1.1 65.0 4.9 73.0 1.7 75.0 4.8 76.0 1.2 80.0 1.0 81.0 13.7 82.0 74.9 83.0 5.8 99.0 1.5 100.0 1.0 101.0 14.7 102.0 3.8 110.0 3.9 130.0 100.0 131.0 6.6
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H4 F2 O 0.046 g : 0.5 ml CDCl3 2,5-difluorophenol 
Assign. Shift(ppm)
A 7.008 B 6.744 C 6.554 D 5.5
Hz ppm Int.2816.65 7.048 30 2813.11 7.039 778 2808.11 7.027 815 2804.08 7.017 952 2803.10 7.014 901 2799.07 7.004 926 2798.10 7.002 907 2794.07 6.992 876 2791.63 6.986 58 2788.94 6.979 836 2704.83 6.768 802 2701.78 6.761 878 2697.88 6.751 858 2695.68 6.746 924 2694.82 6.743 1000 2692.63 6.738 884 2688.60 6.728 802 2685.55 6.720 855 2633.42 6.590 44 2633.18 6.589 44 2630.98 6.584 580 2627.81 6.576 657 2627.44 6.575 682 2624.27 6.567 577 2623.05 6.564 651 2621.95 6.561 609 2619.51 6.555 786 2618.77 6.553 731 2618.41 6.552 681 2616.33 6.547 587 2615.23 6.544 545 2614.01 6.541 558 2610.84 6.533 603 2610.47 6.532 598 2607.30 6.524 466 2186.89 5.473 136
in CDCl3
KBr disc
nujol mull
