CID 512082

Phosphinecarboxylic acid, hydroxy(4-methoxyphenoxy)-, oxide

Structural Information

Molecular Formula
C8H9O6P
SMILES
COC1=CC=C(C=C1)OP(=O)(C(=O)O)O
InChI
InChI=1S/C8H9O6P/c1-13-6-2-4-7(5-3-6)14-15(11,12)8(9)10/h2-5H,1H3,(H,9,10)(H,11,12)
InChIKey
MNLGQNVSBMBKQH-UHFFFAOYSA-N
Compound name
[hydroxy-(4-methoxyphenoxy)phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

232.01367 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02095 145.8
[M+Na]+ 255.00289 153.2
[M-H]- 231.00639 146.0
[M+NH4]+ 250.04749 162.6
[M+K]+ 270.97683 152.8
[M+H-H2O]+ 215.01093 138.1
[M+HCOO]- 277.01187 171.8
[M+CH3COO]- 291.02752 183.3
[M+Na-2H]- 252.98834 149.1
[M]+ 232.01312 149.4
[M]- 232.01422 149.4
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.