CID 82024

7516-60-1

Structural Information

Molecular Formula

C₇H₄Cl₂O₃S

SMILES

C1=CC(=CC=C1C(=O)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C7H4Cl2O3S/c8-7(10)5-1-3-6(4-2-5)13(9,11)12/h1-4H

InChIKey

JYJUMAFOXPQPAU-UHFFFAOYSA-N

Compound name

4-chlorosulfonylbenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 159
Patents: 237.92583 Da
Monoisotopic Mass: 2.4
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]+	238.93311	139.6
[M+Na]+	260.91505	150.4
[M-H]-	236.91855	144.0
[M+NH4]+	255.95965	159.2
[M+K]+	276.88899	145.5
[M+H-H2O]+	220.92309	136.7
[M+HCOO]-	282.92403	148.8
[M+CH3COO]-	296.93968	183.5
[M+Na-2H]-	258.90050	143.6
[M]+	237.92528	145.3
[M]-	237.92638	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe