CID 50904184

S-(diethylsuccinyl)-o-methylphosphorothioate

Structural Information

Molecular Formula
C9H17O7PS
SMILES
CCOC(=O)CC(C(=O)OCC)SP(=O)(O)OC
InChI
InChI=1S/C9H17O7PS/c1-4-15-8(10)6-7(9(11)16-5-2)18-17(12,13)14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
UAMIMRHVICUGJL-UHFFFAOYSA-N
Compound name
(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-methoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.04327 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05055 165.0
[M+Na]+ 323.03249 169.2
[M+NH4]+ 318.07709 167.7
[M+K]+ 339.00643 167.3
[M-H]- 299.03599 158.9
[M+Na-2H]- 321.01794 162.5
[M]+ 300.04272 163.6
[M]- 300.04382 163.6
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.