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N-[Bis(4-bromophenyl)(oxo)-lamda6-sulfaneylidene]-N-methylmethanaminium trifluoromethanesulfonate
SpectraBase Compound ID 13yeHGAFxdq
InChI InChI=1S/C14H14Br2NOS.CHF3O3S/c1-17(2)19(18,13-7-3-11(15)4-8-13)14-9-5-12(16)6-10-14;2-1(3,4)8(5,6)7/h3-10H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey CVHJBRGVQYFJKM-UHFFFAOYSA-M
Mol Weight 553.2 g/mol
Molecular Formula C15H14Br2F3NO4S2
Exact Mass 550.868311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkQQYVMhhbE
Name N-[Bis(4-bromophenyl)(oxo)-lamda6-sulfaneylidene]-N-methylmethanaminium trifluoromethanesulfonate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14Br2F3NO4S2
InChI InChI=1S/C14H14Br2NOS.CHF3O3S/c1-17(2)19(18,13-7-3-11(15)4-8-13)14-9-5-12(16)6-10-14;2-1(3,4)8(5,6)7/h3-10H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey CVHJBRGVQYFJKM-UHFFFAOYSA-M
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/asia.202200828
Molecular Weight 553.203 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.c1(S(=O)(c2ccc(cc2)Br)=[N+](C)C)ccc(cc1)Br
SPLASH splash10-0f8i-9200500000-b49a27a9e99c662c4448
Source of Spectrum CAJ-17-SM6-5c
Wiley ID 1876066