CID 53854515

Di-2-propenyl heptasulfide

Structural Information

Molecular Formula

C₆H₁₀S₇

SMILES

C=CCSSSSSSSCC=C

InChI

InChI=1S/C6H10S7/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4H,1-2,5-6H2

InChIKey

GSEBMLLGHBSQFW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 40
Patents: 305.88275 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]+	306.89003	150.1
[M+Na]+	328.87197	154.4
[M+NH4]+	323.91657	157.2
[M+K]+	344.84591	142.1
[M-H]-	304.87547	151.0
[M+Na-2H]-	326.85742	146.8
[M]+	305.88220	153.1
[M]-	305.88330	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe