CID 74740

Phenylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₇H₇ClO₂S

SMILES

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

InChI

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

InChIKey

OAHKWDDSKCRNFE-UHFFFAOYSA-N

Compound name

phenylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 12
References: 15646
Patents: 189.98553 Da
Monoisotopic Mass: 1.6
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	133.6
[M+Na]+	212.97475	143.6
[M-H]-	188.97825	138.0
[M+NH4]+	208.01935	154.7
[M+K]+	228.94869	139.5
[M+H-H2O]+	172.98279	129.5
[M+HCOO]-	234.98373	148.3
[M+CH3COO]-	248.99938	175.7
[M+Na-2H]-	210.96020	139.6
[M]+	189.98498	137.8
[M]-	189.98608	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe