CID 81625

Chloromethyl phenyl sulfone

Structural Information

Molecular Formula

C₇H₇ClO₂S

SMILES

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

InChI

InChI=1S/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

NXAIQSVCXQZNRY-UHFFFAOYSA-N

Compound name

chloromethylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 341
Patents: 189.98553 Da
Monoisotopic Mass: 1.2
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]+	190.99281	136.4
[M+Na]+	212.97475	149.8
[M+NH4]+	208.01935	145.6
[M+K]+	228.94869	141.2
[M-H]-	188.97825	138.0
[M+Na-2H]-	210.96020	143.5
[M]+	189.98498	139.6
[M]-	189.98608	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe