CID 619483

4,4'-thiobisbenzenethiol

Structural Information

Molecular Formula

C₁₂H₁₀S₃

SMILES

C1=CC(=CC=C1S)SC2=CC=C(C=C2)S

InChI

InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

JLLMOYPIVVKFHY-UHFFFAOYSA-N

Compound name

4-(4-sulfanylphenyl)sulfanylbenzenethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3458
Patents: 249.99446 Da
Monoisotopic Mass: 4.4
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]+	251.00174	144.7
[M+Na]+	272.98368	159.3
[M+NH4]+	268.02828	156.1
[M+K]+	288.95762	145.7
[M-H]-	248.98718	151.3
[M+Na-2H]-	270.96913	153.4
[M]+	249.99391	150.4
[M]-	249.99501	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe