CID 27745

16191-84-7

Structural Information

Molecular Formula

C₈H₈Cl₂O₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)CCCl)Cl

InChI

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

InChIKey

KXQHTLXSDBXWNB-UHFFFAOYSA-N

Compound name

1-chloro-4-(2-chloroethylsulfonyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 108
Patents: 237.9622 Da
Monoisotopic Mass: 2.5
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	148.2
[M+Na]+	260.95142	162.1
[M+NH4]+	255.99602	157.1
[M+K]+	276.92536	152.8
[M-H]-	236.95492	149.5
[M+Na-2H]-	258.93687	154.6
[M]+	237.96165	151.7
[M]-	237.96275	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe