CID 6625

4,4'-dichlorodiphenyl sulfone

Structural Information

Molecular Formula

C₁₂H₈Cl₂O₂S

SMILES

C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl

InChI

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

InChIKey

GPAPPPVRLPGFEQ-UHFFFAOYSA-N

Compound name

1-chloro-4-(4-chlorophenyl)sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 40
References: 10393
Patents: 285.96222 Da
Monoisotopic Mass: 3.9
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]+	286.969496	155.5
[M+Na]+	308.951438	166.8
[M-H]-	284.954944	162.8
[M+NH4]+	303.996043	173.4
[M+K]+	324.925378	160.1
[M+H-H2O]+	268.959480	150.9
[M+HCOO]-	330.960421	165.1
[M+CH3COO]-	344.976071	193.2
[M+Na-2H]-	306.936886	159.7
[M]+	285.96167142	161.1
[M]-	285.96276858	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe