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3-Chlorophenyl trifluoromethanesulfonate
SpectraBase Compound ID IC1m4y9eOKJ
InChI InChI=1S/C7H4ClF3O3S/c8-5-2-1-3-6(4-5)14-15(12,13)7(9,10)11/h1-4H
InChIKey HAAREQSQJCPQGF-UHFFFAOYSA-N
Mol Weight 260.61 g/mol
Molecular Formula C7H4ClF3O3S
Exact Mass 259.952177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuDbEiPgZsH
Name 3-Chlorophenyl trifluoromethanesulfonate
Appearance Colourless oil
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Exact Mass 259.952177349 u
Formula C7H4ClF3O3S
InChI InChI=1S/C7H4ClF3O3S/c8-5-2-1-3-6(4-5)14-15(12,13)7(9,10)11/h1-4H
InChIKey HAAREQSQJCPQGF-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7820A-5975 series MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808386
Molecular Weight 260.614 g/mol
Quality 516
SMILES C1=CC=C(C=C1Cl)OS(C(F)(F)F)(=O)=O
SPLASH splash10-00kb-9630000000-df3e846ca0280748c3cc
Source of Spectrum ACI-57-SM29-29-2 (DOI: 10.1002/anie.201808386)
Thin-Layer Chromatography 0.50 (Hexane)
Wiley ID 1893420