PENTAFLUOROTHIOPHENOL(771-62-0) 1H NMR
Product NamePENTAFLUOROTHIOPHENOL
CAS771-62-0
Molecular FormulaC6HF5S
Molecular Weight200.13
InChIInChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey UVAMFBJPMUMURT-UHFFFAOYSA-N
SmilesC1(S)=C(F)C(F)=C(F)C(F)=C1F
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MassMS-IW-9140 pentafluorobenzenethiol C6HF5S (Mass of molecular ion: 200)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 7.7 45.0 1.8 55.0 1.2 63.0 22.1 65.0 1.0 69.0 8.9 74.0 1.9 75.0 2.2 79.0 2.5 86.0 1.8 87.0 10.3 90.0 5.0 93.0 8.0 98.0 2.9 99.0 6.7 100.0 7.3 105.0 2.7 106.0 5.3 111.0 8.6 113.0 1.2 117.0 12.4 118.0 2.5 124.0 1.4 125.0 1.8 130.0 3.8 131.0 6.2 136.0 1.2 137.0 9.7 149.0 9.0 150.0 13.5 151.0 1.2 155.0 24.5 156.0 16.6 167.0 2.3 168.0 29.4 169.0 2.3 180.0 7.4 181.0 5.1 199.0 28.1 200.0 100.0 201.0 8.6 202.0 4.8
in CDCl3
