CID 78854

4,4'-dichloro diphenyl sulfide

Structural Information

Molecular Formula

C₁₂H₈Cl₂S

SMILES

C1=CC(=CC=C1SC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H8Cl2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

InChIKey

MJEPOVIWHVRBIT-UHFFFAOYSA-N

Compound name

1-chloro-4-(4-chlorophenyl)sulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 569
Patents: 253.97238 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]+	254.97966	151.8
[M+Na]+	276.96160	169.6
[M+NH4]+	272.00620	163.3
[M+K]+	292.93554	157.1
[M-H]-	252.96510	158.0
[M+Na-2H]-	274.94705	162.5
[M]+	253.97183	157.5
[M]-	253.97293	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe