CID 12874987

319002-87-4

Structural Information

Molecular Formula

C₄HBr₂ClO₂S₂

SMILES

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

InChI

InChI=1S/C4HBr2ClO2S2/c5-2-1-3(6)10-4(2)11(7,8)9/h1H

InChIKey

KSZCHVMDIOJIEF-UHFFFAOYSA-N

Compound name

3,5-dibromothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 337.7473 Da
Monoisotopic Mass: 3.7
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]+	338.75458	125.0
[M+Na]+	360.73652	141.4
[M-H]-	336.74002	133.7
[M+NH4]+	355.78112	146.7
[M+K]+	376.71046	123.4
[M+H-H2O]+	320.74456	135.6
[M+HCOO]-	382.74550	131.7
[M+CH3COO]-	396.76115	201.8
[M+Na-2H]-	358.72197	131.2
[M]+	337.74675	162.6
[M]-	337.74785	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe