CID 15415

Malaoxon

Structural Information

Molecular Formula
C10H19O7PS
SMILES
CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC
InChI
InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3
InChIKey
WSORODGWGUUOBO-UHFFFAOYSA-N
Compound name
diethyl 2-dimethoxyphosphorylsulfanylbutanedioate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

154
References

317
Patents

314.0589 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06618 167.4
[M+Na]+ 337.04812 171.9
[M-H]- 313.05162 166.0
[M+NH4]+ 332.09272 182.6
[M+K]+ 353.02206 173.1
[M+H-H2O]+ 297.05616 159.1
[M+HCOO]- 359.05710 187.8
[M+CH3COO]- 373.07275 202.6
[M+Na-2H]- 335.03357 164.9
[M]+ 314.05835 179.0
[M]- 314.05945 179.0
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.