CID 2757778

728919-57-1

Structural Information

Molecular Formula

C₈H₈Cl₂O₂S

SMILES

C1=CC=C(C(=C1)CCS(=O)(=O)Cl)Cl

InChI

InChI=1S/C8H8Cl2O2S/c9-8-4-2-1-3-7(8)5-6-13(10,11)12/h1-4H,5-6H2

InChIKey

BRMWJQBTZLQTIP-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 237.9622 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]+	238.96948	143.1
[M+Na]+	260.95142	153.6
[M-H]-	236.95492	147.1
[M+NH4]+	255.99602	162.9
[M+K]+	276.92536	148.1
[M+H-H2O]+	220.95946	139.8
[M+HCOO]-	282.96040	152.4
[M+CH3COO]-	296.97605	184.6
[M+Na-2H]-	258.93687	147.3
[M]+	237.96165	148.8
[M]-	237.96275	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe