CID 2776378

Thiophene-3-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₃ClO₂S₂

SMILES

C1=CSC=C1S(=O)(=O)Cl

InChI

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

InChIKey

YSPWSQNKRBSICH-UHFFFAOYSA-N

Compound name

thiophene-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 952
Patents: 181.9263 Da
Monoisotopic Mass: 1.6
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]+	182.933576	133.3
[M+Na]+	204.915518	144.6
[M-H]-	180.919024	138.1
[M+NH4]+	199.960123	156.6
[M+K]+	220.889458	140.4
[M+H-H2O]+	164.923560	130.1
[M+HCOO]-	226.924501	143.9
[M+CH3COO]-	240.940151	172.0
[M+Na-2H]-	202.900966	135.7
[M]+	181.92575142	137.8
[M]-	181.92684858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe