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4-bromo-2-chlorophenyl fluorosulfate
SpectraBase Compound ID GfpEeGnSeV8
InChI InChI=1S/C6H3BrClFO3S/c7-4-1-2-6(5(8)3-4)12-13(9,10)11/h1-3H
InChIKey QXFSMTMYKFFMBM-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 2bSmsafiQHd
Name 4-bromo-2-chlorophenyl fluorosulfate
Appearance Colorless liquid
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Formula C6H3BrClFO3S
InChI InChI=1S/C6H3BrClFO3S/c7-4-1-2-6(5(8)3-4)12-13(9,10)11/h1-3H
InChIKey QXFSMTMYKFFMBM-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)Cl)Br
SPLASH splash10-0a6r-0490000000-d2e9afad4c4002cab4ba
Source of Spectrum ACI-59-SM9-9-3
Thin-Layer Chromatography Rf = 0.71 (10:1, Pentane/EtOAc)
Wiley ID 1856907