CID 18329

4-chlorophenyl sulfoxide

Structural Information

Molecular Formula

C₁₂H₈Cl₂OS

SMILES

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

InChI

InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H

InChIKey

KJGYFISADIZFEL-UHFFFAOYSA-N

Compound name

1-chloro-4-(4-chlorophenyl)sulfinylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1109
Patents: 269.9673 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]+	270.97458	150.4
[M+Na]+	292.95652	161.0
[M-H]-	268.96002	157.4
[M+NH4]+	288.00112	168.9
[M+K]+	308.93046	154.4
[M+H-H2O]+	252.96456	145.8
[M+HCOO]-	314.96550	160.2
[M+CH3COO]-	328.98115	163.5
[M+Na-2H]-	290.94197	153.0
[M]+	269.96675	155.3
[M]-	269.96785	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe