CID 3802752

65685-01-0

Structural Information

Molecular Formula

C₁₂H₉ClO₂S

SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C12H9ClO2S/c13-16(14,15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

InChIKey

LKSVJXWZVULUDA-UHFFFAOYSA-N

Compound name

3-phenylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 252.00117 Da
Monoisotopic Mass: 4.0
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]+	253.00845	152.1
[M+Na]+	274.99039	167.9
[M+NH4]+	270.03499	161.8
[M+K]+	290.96433	157.9
[M-H]-	250.99389	156.5
[M+Na-2H]-	272.97584	162.1
[M]+	252.00062	156.7
[M]-	252.00172	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe