CID 518622

126714-85-0

Structural Information

Molecular Formula

C₄HCl₃O₂S₂

SMILES

C1=C(SC(=C1Cl)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C4HCl3O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H

InChIKey

IVTWLTRKVRJPNG-UHFFFAOYSA-N

Compound name

4,5-dichlorothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 500
Patents: 249.84836 Da
Monoisotopic Mass: 3.5
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]+	250.85564	155.6
[M+Na]+	272.83758	167.5
[M+NH4]+	267.88218	164.3
[M+K]+	288.81152	158.7
[M-H]-	248.84108	155.8
[M+Na-2H]-	270.82303	158.6
[M]+	249.84781	159.0
[M]-	249.84891	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe