CID 9012

Dibenzyl disulfide

Structural Information

Molecular Formula

C₁₄H₁₄S₂

SMILES

C1=CC=C(C=C1)CSSCC2=CC=CC=C2

InChI

InChI=1S/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

GVPWHKZIJBODOX-UHFFFAOYSA-N

Compound name

(benzyldisulfanyl)methylbenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 17
References: 11245
Patents: 246.0537 Da
Monoisotopic Mass: 3.9
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]+	247.06098	149.0
[M+Na]+	269.04292	163.8
[M+NH4]+	264.08752	160.3
[M+K]+	285.01686	150.5
[M-H]-	245.04642	155.6
[M+Na-2H]-	267.02837	159.1
[M]+	246.05315	154.3
[M]-	246.05425	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe