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 163.6
[M+Na]+ 323.03249 168.0
[M-H]- 299.03599 160.9
[M+NH4]+ 318.07709 178.6
[M+K]+ 339.00643 168.5
[M+H-H2O]+ 283.04053 155.6
[M+HCOO]- 345.04147 182.7
[M+CH3COO]- 359.05712 197.2
[M+Na-2H]- 321.01794 161.0
[M]+ 300.04272 172.9
[M]- 300.04382 172.9
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.