CID 475360

2-diethoxyphosphinothioylacetic acid

Structural Information

Molecular Formula
C6H13O4PS
SMILES
CCOP(=S)(CC(=O)O)OCC
InChI
InChI=1S/C6H13O4PS/c1-3-9-11(12,10-4-2)5-6(7)8/h3-5H2,1-2H3,(H,7,8)
InChIKey
MNOOHJVLASRUPS-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02722 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03450 144.5
[M+Na]+ 235.01644 151.0
[M-H]- 211.01994 142.4
[M+NH4]+ 230.06104 163.5
[M+K]+ 250.99038 150.1
[M+H-H2O]+ 195.02448 137.4
[M+HCOO]- 257.02542 165.7
[M+CH3COO]- 271.04107 182.6
[M+Na-2H]- 233.00189 144.2
[M]+ 212.02667 150.6
[M]- 212.02777 150.6
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.