CID 50904186

S-(diethylsuccinyl)-phosphorothioate

Structural Information

Molecular Formula
C8H15O7PS
SMILES
CCOC(=O)CC(C(=O)OCC)SP(=O)(O)O
InChI
InChI=1S/C8H15O7PS/c1-3-14-7(9)5-6(8(10)15-4-2)17-16(11,12)13/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKey
PHIFSMDIMKGOJQ-UHFFFAOYSA-N
Compound name
(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.02762 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03490 161.4
[M+Na]+ 309.01684 165.2
[M+NH4]+ 304.06144 163.9
[M+K]+ 324.99078 163.8
[M-H]- 285.02034 154.7
[M+Na-2H]- 307.00229 158.5
[M]+ 286.02707 159.7
[M]- 286.02817 159.7
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.