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

1
Annotation Hits: 0
References: 1668
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]+	216.89461	144.9
[M+Na]+	238.87655	156.5
[M+NH4]+	233.92115	154.0
[M+K]+	254.85049	148.2
[M-H]-	214.88005	145.5
[M+Na-2H]-	236.86200	148.6
[M]+	215.88678	148.1
[M]-	215.88788	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe