CID 85518

2-thiophenesulfonyl chloride

Structural Information

Molecular Formula

C₄H₃ClO₂S₂

SMILES

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

InChI

InChI=1S/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H

InChIKey

VNNLHYZDXIBHKZ-UHFFFAOYSA-N

Compound name

thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4482
Patents: 181.9263 Da
Monoisotopic Mass: 1.2
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]+	182.93358	136.1
[M+Na]+	204.91552	147.0
[M+NH4]+	199.96012	145.4
[M+K]+	220.88946	139.3
[M-H]-	180.91902	136.9
[M+Na-2H]-	202.90097	140.3
[M]+	181.92575	139.0
[M]-	181.92685	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe