CID 13646

2-chloroethyl phenyl sulfone

Structural Information

Molecular Formula

C₈H₉ClO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)CCCl

InChI

InChI=1S/C8H9ClO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

NUJGORANFDSMOL-UHFFFAOYSA-N

Compound name

2-chloroethylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 301
Patents: 204.00117 Da
Monoisotopic Mass: 1.8
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]+	205.00845	140.8
[M+Na]+	226.99039	154.0
[M+NH4]+	222.03499	149.8
[M+K]+	242.96433	145.2
[M-H]-	202.99389	142.3
[M+Na-2H]-	224.97584	147.6
[M]+	204.00062	143.9
[M]-	204.00172	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe