CID 7397

P-toluenesulfonyl chloride

Structural Information

Molecular Formula

C₇H₇ClO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3

InChIKey

YYROPELSRYBVMQ-UHFFFAOYSA-N

Compound name

4-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 155
References: 73339
Patents: 189.98553 Da
Monoisotopic Mass: 3.0
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	150.1
[M+NH4]+	208.01935	145.6
[M+K]+	228.94869	141.8
[M-H]-	188.97825	138.0
[M+Na-2H]-	210.96020	143.2
[M]+	189.98498	139.7
[M]-	189.98608	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe