CID 80038

5930-71-2

Structural Information

Molecular Formula
C4H12O4P2S4
SMILES
COP(=S)(OC)SSP(=S)(OC)OC
InChI
InChI=1S/C4H12O4P2S4/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h1-4H3
InChIKey
HUTQNWSTEVZUML-UHFFFAOYSA-N
Compound name
(dimethoxyphosphinothioyldisulfanyl)-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

313.90936 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.91664 155.8
[M+Na]+ 336.89858 160.6
[M-H]- 312.90208 151.7
[M+NH4]+ 331.94318 169.9
[M+K]+ 352.87252 154.4
[M+H-H2O]+ 296.90662 143.6
[M+HCOO]- 358.90756 167.3
[M+CH3COO]- 372.92321 202.2
[M+Na-2H]- 334.88403 154.3
[M]+ 313.90881 158.4
[M]- 313.90991 158.4
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.