CID 86956

17118-79-5

Structural Information

Molecular Formula
C5H9PS4
SMILES
CSP(=S)(SC)SCC#C
InChI
InChI=1S/C5H9PS4/c1-4-5-10-6(7,8-2)9-3/h1H,5H2,2-3H3
InChIKey
IYIGEFYDEYKIBE-UHFFFAOYSA-N
Compound name
bis(methylsulfanyl)-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.93246 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.939736 146.1
[M+Na]+ 250.921678 155.5
[M-H]- 226.925184 145.8
[M+NH4]+ 245.966283 162.8
[M+K]+ 266.895618 150.4
[M+H-H2O]+ 210.929720 133.4
[M+HCOO]- 272.930661 147.7
[M+CH3COO]- 286.946311 197.6
[M+Na-2H]- 248.907126 143.1
[M]+ 227.93191142 141.2
[M]- 227.93300858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.