CID 3771398

885267-95-8

Structural Information

Molecular Formula

C₁₂H₇Cl₃O₂S

SMILES

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

InChI

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

InChIKey

KBMKQHVXGMOKKI-UHFFFAOYSA-N

Compound name

4-(3,5-dichlorophenyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 319.92325 Da
Monoisotopic Mass: 4.8
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	160.9
[M+Na]+	342.91247	172.6
[M-H]-	318.91597	167.3
[M+NH4]+	337.95707	177.6
[M+K]+	358.88641	165.6
[M+H-H2O]+	302.92051	157.1
[M+HCOO]-	364.92145	165.1
[M+CH3COO]-	378.93710	199.5
[M+Na-2H]-	340.89792	163.4
[M]+	319.92270	166.8
[M]-	319.92380	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe