CID 14360

1142-19-4

Structural Information

Molecular Formula

C₁₂H₈Cl₂S₂

SMILES

C1=CC(=CC=C1SSC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H

InChIKey

ZIXXRXGPBFMPFD-UHFFFAOYSA-N

Compound name

1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 2782
Patents: 285.94446 Da
Monoisotopic Mass: 5.7
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]+	286.95174	151.8
[M+Na]+	308.93368	162.4
[M-H]-	284.93718	158.5
[M+NH4]+	303.97828	170.0
[M+K]+	324.90762	154.4
[M+H-H2O]+	268.94172	147.5
[M+HCOO]-	330.94266	156.8
[M+CH3COO]-	344.95831	164.1
[M+Na-2H]-	306.91913	153.3
[M]+	285.94391	156.8
[M]-	285.94501	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe