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

6
Annotation Hits: 61
References: 23443
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	141.6
[M+Na]+	241.01162	150.2
[M-H]-	217.01512	148.3
[M+NH4]+	236.05622	160.8
[M+K]+	256.98556	144.4
[M+H-H2O]+	201.01966	135.3
[M+HCOO]-	263.02060	156.2
[M+CH3COO]-	277.03625	154.5
[M+Na-2H]-	238.99707	145.4
[M]+	218.02185	143.1
[M]-	218.02295	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe