CID 9882013

Diallyl hexasulfide

Structural Information

Molecular Formula

C₆H₁₀S₆

SMILES

C=CCSSSSSSCC=C

InChI

InChI=1S/C6H10S6/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-6H2

InChIKey

RUEMHHSAZHTSOK-UHFFFAOYSA-N

Compound name

3-(prop-2-enylhexasulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 60
Patents: 273.91068 Da
Monoisotopic Mass: 4.0
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]+	274.91796	146.3
[M+Na]+	296.89990	151.8
[M+NH4]+	291.94450	154.2
[M+K]+	312.87384	139.1
[M-H]-	272.90340	147.3
[M+Na-2H]-	294.88535	144.0
[M]+	273.91013	149.5
[M]-	273.91123	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe