CID 116409

Thiopyrophosphoric acid, p-(diethyl) p'-(dimethyl) ester

Structural Information

Molecular Formula
C6H16O5P2S2
SMILES
CCOP(=S)(OCC)OP(=S)(OC)OC
InChI
InChI=1S/C6H16O5P2S2/c1-5-9-13(15,10-6-2)11-12(14,7-3)8-4/h5-6H2,1-4H3
InChIKey
VDWHIZGTRITZOX-UHFFFAOYSA-N
Compound name
diethoxyphosphinothioyloxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.99146 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99874 159.0
[M+Na]+ 316.98068 164.4
[M+NH4]+ 312.02528 163.8
[M+K]+ 332.95462 159.1
[M-H]- 292.98418 154.8
[M+Na-2H]- 314.96613 158.1
[M]+ 293.99091 159.1
[M]- 293.99201 159.1
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.