CID 2737400

3-bromo-5-chlorothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₄HBrCl₂O₂S₂

SMILES

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

InChI

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

InChIKey

IJWGXKAPAGXFRO-UHFFFAOYSA-N

Compound name

3-bromo-5-chlorothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
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	137.6
[M+Na]+	316.78707	140.9
[M+NH4]+	311.83167	143.2
[M+K]+	332.76101	139.7
[M-H]-	292.79057	137.1
[M+Na-2H]-	314.77252	139.6
[M]+	293.79730	138.0
[M]-	293.79840	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe