CID 54346504

3-chlorothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₂Cl₂O₂S₂

SMILES

C1=CSC(=C1Cl)S(=O)(=O)Cl

InChI

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

InChIKey

UCQWIDZBMUWIKV-UHFFFAOYSA-N

Compound name

3-chlorothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 215.88733 Da
Monoisotopic Mass: 2.6
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]+	216.89461	139.0
[M+Na]+	238.87655	151.0
[M-H]-	214.88005	143.8
[M+NH4]+	233.92115	161.5
[M+K]+	254.85049	145.7
[M+H-H2O]+	198.88459	136.9
[M+HCOO]-	260.88553	144.6
[M+CH3COO]-	274.90118	177.8
[M+Na-2H]-	236.86200	140.2
[M]+	215.88678	144.4
[M]-	215.88788	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe