CID 92710

Acetic acid, ((dimethoxyphosphinyl)thio)-, methyl ester

Structural Information

Molecular Formula
C5H11O5PS
SMILES
COC(=O)CSP(=O)(OC)OC
InChI
InChI=1S/C5H11O5PS/c1-8-5(6)4-12-11(7,9-2)10-3/h4H2,1-3H3
InChIKey
OMXGOZIBCJLGLU-UHFFFAOYSA-N
Compound name
methyl 2-dimethoxyphosphorylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.00648 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01376 141.6
[M+Na]+ 236.99570 148.9
[M-H]- 212.99920 141.1
[M+NH4]+ 232.04030 161.2
[M+K]+ 252.96964 149.6
[M+H-H2O]+ 197.00374 134.3
[M+HCOO]- 259.00468 164.9
[M+CH3COO]- 273.02033 183.6
[M+Na-2H]- 234.98115 142.6
[M]+ 214.00593 150.5
[M]- 214.00703 150.5
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.