CID 165586959

Sodium(diethoxyphosphoryl)methanesulfinate

Structural Information

Molecular Formula
C5H13O5PS
SMILES
CCOP(=O)(CS(=O)O)OCC
InChI
InChI=1S/C5H13O5PS/c1-3-9-11(6,10-4-2)5-12(7)8/h3-5H2,1-2H3,(H,7,8)
InChIKey
UGQNRPAFNNGWON-UHFFFAOYSA-N
Compound name
diethoxyphosphorylmethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02213 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02941 142.8
[M+Na]+ 239.01135 149.5
[M-H]- 215.01485 140.8
[M+NH4]+ 234.05595 161.6
[M+K]+ 254.98529 149.3
[M+H-H2O]+ 199.01939 135.6
[M+HCOO]- 261.02033 164.5
[M+CH3COO]- 275.03598 181.7
[M+Na-2H]- 236.99680 143.3
[M]+ 216.02158 149.9
[M]- 216.02268 149.9
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.