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]+ 228.93974 146.1
[M+Na]+ 250.92168 155.5
[M-H]- 226.92518 145.8
[M+NH4]+ 245.96628 162.8
[M+K]+ 266.89562 150.4
[M+H-H2O]+ 210.92972 133.4
[M+HCOO]- 272.93066 147.7
[M+CH3COO]- 286.94631 197.6
[M+Na-2H]- 248.90713 143.1
[M]+ 227.93191 141.2
[M]- 227.93301 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.