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3-Bromo-5-chloropyridin-2-yl trifluoromethanesulfonate
SpectraBase Compound ID Ec5AFKvTj0G
InChI InChI=1S/C6H2BrClF3NO3S/c7-4-1-3(8)2-12-5(4)15-16(13,14)6(9,10)11/h1-2H
InChIKey YIQMYJXYJQJXND-UHFFFAOYSA-N
Mol Weight 340.5 g/mol
Molecular Formula C6H2BrClF3NO3S
Exact Mass 338.857939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6BdyEa4CIU
Name 3-Bromo-5-chloropyridin-2-yl trifluoromethanesulfonate
Appearance Colourless oil
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Exact Mass 338.857939288 u
Formula C6H2BrClF3NO3S
InChI InChI=1S/C6H2BrClF3NO3S/c7-4-1-3(8)2-12-5(4)15-16(13,14)6(9,10)11/h1-2H
InChIKey YIQMYJXYJQJXND-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7820A-5975 series MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201808386
Molecular Weight 340.498 g/mol
Quality 523
SMILES C=1(Br)C(=NC=C(C1)Cl)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0002-6973000000-8880e77d8c482d512ae6
Source of Spectrum ACI-57-SM33-33-1 (DOI: 10.1002/anie.201808386)
Thin-Layer Chromatography 0.67 (10% ethyl acetate/hexane)
Wiley ID 1893432