CID 13436

Diphenyl disulfide

Structural Information

Molecular Formula

C₁₂H₁₀S₂

SMILES

C1=CC=C(C=C1)SSC2=CC=CC=C2

InChI

InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

InChIKey

GUUVPOWQJOLRAS-UHFFFAOYSA-N

Compound name

(phenyldisulfanyl)benzene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 61
References: 21871
Patents: 218.0224 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]+	219.02968	140.6
[M+Na]+	241.01162	155.7
[M+NH4]+	236.05622	152.1
[M+K]+	256.98556	142.9
[M-H]-	217.01512	147.2
[M+Na-2H]-	238.99707	151.1
[M]+	218.02185	145.9
[M]-	218.02295	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe