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2-bromo-4-chlorophenyl fluorosulfate
SpectraBase Compound ID 195NprJXlJp
InChI InChI=1S/C6H3BrClFO3S/c7-5-3-4(8)1-2-6(5)12-13(9,10)11/h1-3H
InChIKey YFLGHFNNDUCIFO-UHFFFAOYSA-N
Mol Weight 289.5 g/mol
Molecular Formula C6H3BrClFO3S
Exact Mass 287.865884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcceKdmAvcA
Name 2-bromo-4-chlorophenyl fluorosulfate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3BrClFO3S
InChI InChI=1S/C6H3BrClFO3S/c7-5-3-4(8)1-2-6(5)12-13(9,10)11/h1-3H
InChIKey YFLGHFNNDUCIFO-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5975-7820A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201911465
Molecular Weight 289.502 g/mol
Reported Formula C6H3(79)Br(35)ClFO3(32)S
SMILES c1c(cc(c(c1)OS(F)(=O)=O)Br)Cl
SPLASH splash10-0a6r-0490000000-1f2f0954f0820ef5a4f0
Source of Spectrum ACI-59-SM9-9-2
Thin-Layer Chromatography Rf = 0.68 (10:1, Pentane/Et2O)
Wiley ID 1856906