CID 512094

Phosphinecarboxylic acid, hydroxymethoxy-, phenyl ester, oxide

Structural Information

Molecular Formula
C8H9O5P
SMILES
COP(=O)(C(=O)OC1=CC=CC=C1)O
InChI
InChI=1S/C8H9O5P/c1-12-14(10,11)8(9)13-7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11)
InChIKey
FRRVDROTDXCHDG-UHFFFAOYSA-N
Compound name
methoxy(phenoxycarbonyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.01875 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02603 143.5
[M+Na]+ 239.00797 150.8
[M-H]- 215.01147 144.9
[M+NH4]+ 234.05257 161.7
[M+K]+ 254.98191 150.6
[M+H-H2O]+ 199.01601 135.8
[M+HCOO]- 261.01695 171.0
[M+CH3COO]- 275.03260 181.6
[M+Na-2H]- 236.99342 147.8
[M]+ 216.01820 147.2
[M]- 216.01930 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.