CID 2797220

166964-35-8

Structural Information

Molecular Formula

C₄HBrCl₂O₂S₂

SMILES

C1=C(SC(=C1Br)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C4HBrCl2O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H

InChIKey

PABOKJJDABSQCK-UHFFFAOYSA-N

Compound name

4-bromo-5-chlorothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 293.79785 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.80513	134.8
[M+Na]+	316.78707	152.0
[M-H]-	292.79057	142.8
[M+NH4]+	311.83167	158.5
[M+K]+	332.76101	137.5
[M+H-H2O]+	276.79511	138.8
[M+HCOO]-	338.79605	139.5
[M+CH3COO]-	352.81170	188.8
[M+Na-2H]-	314.77252	138.8
[M]+	293.79730	158.5
[M]-	293.79840	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe