CID 12481804

Dibutyl trisulfide

Structural Information

Molecular Formula

C₈H₁₈S₃

SMILES

CCCCSSSCCCC

InChI

InChI=1S/C8H18S3/c1-3-5-7-9-11-10-8-6-4-2/h3-8H2,1-2H3

InChIKey

MFNTTYYYVNGQPW-UHFFFAOYSA-N

Compound name

1-(butyltrisulfanyl)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 125
Patents: 210.05707 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]+	211.06435	142.7
[M+Na]+	233.04629	151.3
[M+NH4]+	228.09089	152.1
[M+K]+	249.02023	139.3
[M-H]-	209.04979	143.9
[M+Na-2H]-	231.03174	144.0
[M]+	210.05652	145.7
[M]-	210.05762	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe