1,4-Difluorobenzene(540-36-3) MS
Product Name1,4-Difluorobenzene
CAS540-36-3
Molecular FormulaC6H4F2
Molecular Weight114.09
InChIInChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey QUGUFLJIAFISSW-UHFFFAOYSA-N
SmilesC1(F)=CC=C(F)C=C1
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MassMS-NW-5900 p-difluorobenzene C6H4F2 (Mass of molecular ion: 114)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
31.0 3.8 37.0 2.9 38.0 2.3 39.0 1.9 49.0 1.2 50.0 8.7 51.0 1.6 56.0 1.7 57.0 9.9 61.0 2.3 62.0 2.8 63.0 22.7 64.0 3.2 68.0 3.3 69.0 2.4 70.0 3.6 74.0 2.6 75.0 4.4 81.0 3.9 88.0 14.5 93.0 1.4 94.0 5.0 95.0 3.0 113.0 2.6 114.0 100.0 115.0 6.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H4 F2 0.04 ml : 0.5 ml CDCl3 p-difluorobenzene 
Assign. Shift(ppm)
A 6.996
Hz ppm Int.632.63 7.064 989 626.56 6.996 1000 620.50 6.929 942
in CDCl3
liquid film
4880 A,200 M,liquid
