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

literature stripe

Patent stripe

patents stripe