CID 18072853

56044-25-8

Structural Information

Molecular Formula

C₇H₃Cl₂NO₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)C#N)Cl

InChI

InChI=1S/C7H3Cl2NO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H

InChIKey

SOQHHZHDKJUUDQ-UHFFFAOYSA-N

Compound name

4-chloro-3-cyanobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 234.92615 Da
Monoisotopic Mass: 2.0
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]+	235.93343	139.7
[M+Na]+	257.91537	152.9
[M+NH4]+	252.95997	144.9
[M+K]+	273.88931	142.3
[M-H]-	233.91887	134.0
[M+Na-2H]-	255.90082	143.8
[M]+	234.92560	140.1
[M]-	234.92670	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe