CID 4914675

4796-23-0

Structural Information

Molecular Formula

C₈H₈Cl₂O₂S

SMILES

C1=CC(=CC=C1CCCl)S(=O)(=O)Cl

InChI

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

InChIKey

ZYIVPEJFZXDHRR-UHFFFAOYSA-N

Compound name

4-(2-chloroethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.9622 Da
Monoisotopic Mass: 2.8
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]+	238.969476	143.1
[M+Na]+	260.951418	153.6
[M-H]-	236.954924	147.1
[M+NH4]+	255.996023	162.9
[M+K]+	276.925358	148.1
[M+H-H2O]+	220.959460	139.8
[M+HCOO]-	282.960401	152.4
[M+CH3COO]-	296.976051	184.6
[M+Na-2H]-	258.936866	147.3
[M]+	237.96165142	148.8
[M]-	237.96274858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe