CID 17356

Dicyclohexyl disulfide

Structural Information

Molecular Formula

C₁₂H₂₂S₂

SMILES

C1CCC(CC1)SSC2CCCCC2

InChI

InChI=1S/C12H22S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey

ODHAQPXNQDBHSH-UHFFFAOYSA-N

Compound name

(cyclohexyldisulfanyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 1677
Patents: 230.11629 Da
Monoisotopic Mass: 4.5
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]+	231.12357	149.9
[M+Na]+	253.10551	151.8
[M-H]-	229.10901	154.0
[M+NH4]+	248.15011	167.9
[M+K]+	269.07945	147.9
[M+H-H2O]+	213.11355	143.4
[M+HCOO]-	275.11449	155.9
[M+CH3COO]-	289.13014	159.3
[M+Na-2H]-	251.09096	148.2
[M]+	230.11574	143.3
[M]-	230.11684	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe