CID 16244688

478647-00-6

Structural Information

Molecular Formula

C₁₂H₈Cl₂O₂S

SMILES

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

InChI

InChI=1S/C12H8Cl2O2S/c13-11-3-1-2-10(8-11)9-4-6-12(7-5-9)17(14,15)16/h1-8H

InChIKey

FVELIXWAKJVRDG-UHFFFAOYSA-N

Compound name

4-(3-chlorophenyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 285.96222 Da
Monoisotopic Mass: 4.6
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]+	286.96950	160.1
[M+Na]+	308.95144	176.6
[M+NH4]+	303.99604	169.6
[M+K]+	324.92538	165.9
[M-H]-	284.95494	164.2
[M+Na-2H]-	306.93689	169.5
[M]+	285.96167	164.9
[M]-	285.96277	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe