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: 5072
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	133.3
[M+Na]+	204.91552	144.6
[M-H]-	180.91902	138.1
[M+NH4]+	199.96012	156.6
[M+K]+	220.88946	140.4
[M+H-H2O]+	164.92356	130.1
[M+HCOO]-	226.92450	143.9
[M+CH3COO]-	240.94015	172.0
[M+Na-2H]-	202.90097	135.7
[M]+	181.92575	137.8
[M]-	181.92685	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe