CID 2733925

5-chlorothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₂Cl₂O₂S₂

SMILES

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

InChI

InChI=1S/C4H2Cl2O2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H

InChIKey

SORSTNOXGOXWAO-UHFFFAOYSA-N

Compound name

5-chlorothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1893
Patents: 215.88733 Da
Monoisotopic Mass: 2.9
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]+	216.894606	139.0
[M+Na]+	238.876548	151.0
[M-H]-	214.880054	143.8
[M+NH4]+	233.921153	161.5
[M+K]+	254.850488	145.7
[M+H-H2O]+	198.884590	136.9
[M+HCOO]-	260.885531	144.6
[M+CH3COO]-	274.901181	177.8
[M+Na-2H]-	236.861996	140.2
[M]+	215.88678142	144.4
[M]-	215.88787858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe