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

3
Annotation Hits: 4
References: 2570
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	157.9
[M+Na]+	308.93368	174.7
[M+NH4]+	303.97828	169.4
[M+K]+	324.90762	160.7
[M-H]-	284.93718	164.2
[M+Na-2H]-	306.91913	167.4
[M]+	285.94391	164.0
[M]-	285.94501	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe