CID 79401

2,5-dichlorobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₃Cl₃O₂S

SMILES

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

InChI

InChI=1S/C6H3Cl3O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H

InChIKey

BXCOSWRSIISQSL-UHFFFAOYSA-N

Compound name

2,5-dichlorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 1464
Patents: 243.89194 Da
Monoisotopic Mass: 3.0
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]+	244.899216	139.7
[M+Na]+	266.881158	151.5
[M-H]-	242.884664	143.3
[M+NH4]+	261.925763	159.3
[M+K]+	282.855098	145.8
[M+H-H2O]+	226.889200	137.8
[M+HCOO]-	288.890141	144.2
[M+CH3COO]-	302.905791	185.4
[M+Na-2H]-	264.866606	143.2
[M]+	243.89139142	144.8
[M]-	243.89248858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe