CID 85670385

Allylhydro tetrasulfide

Structural Information

Molecular Formula

C₃H₆S₄

SMILES

C=CCSSSS

InChI

InChI=1S/C3H6S4/c1-2-3-5-7-6-4/h2,4H,1,3H2

InChIKey

LLONXRPRSDJBOF-UHFFFAOYSA-N

Compound name

3-(tetrasulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.93524 Da
Monoisotopic Mass: 2.5
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]+	170.942516	129.4
[M+Na]+	192.924458	137.2
[M-H]-	168.927964	128.1
[M+NH4]+	187.969063	148.6
[M+K]+	208.898398	129.6
[M+H-H2O]+	152.932500	123.8
[M+HCOO]-	214.933441	129.8
[M+CH3COO]-	228.949091	180.1
[M+Na-2H]-	190.909906	128.6
[M]+	169.93469142	128.0
[M]-	169.93578858	128.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.