CID 2794751

501697-80-9

Structural Information

Molecular Formula

C₁₂H₇Cl₃O₂S

SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C12H7Cl3O2S/c13-11-6-3-9(7-12(11)14)8-1-4-10(5-2-8)18(15,16)17/h1-7H

InChIKey

DHVBZUPMGVOIOH-UHFFFAOYSA-N

Compound name

4-(3,4-dichlorophenyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 319.92325 Da
Monoisotopic Mass: 5.3
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]+	320.93053	169.3
[M+Na]+	342.91247	186.0
[M+NH4]+	337.95707	178.5
[M+K]+	358.88641	175.0
[M-H]-	318.91597	172.9
[M+Na-2H]-	340.89792	177.8
[M]+	319.92270	174.3
[M]-	319.92380	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe