CID 512089

Phosphinecarboxylic acid, dihydroxy-, 4-methylphenyl ester, oxide

Structural Information

Molecular Formula
C8H9O5P
SMILES
CC1=CC=C(C=C1)OC(=O)P(=O)(O)O
InChI
InChI=1S/C8H9O5P/c1-6-2-4-7(5-3-6)13-8(9)14(10,11)12/h2-5H,1H3,(H2,10,11,12)
InChIKey
OPEPIMRGZUJTBS-UHFFFAOYSA-N
Compound name
(4-methylphenoxy)carbonylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

216.01875 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02603 143.8
[M+Na]+ 239.00797 151.5
[M-H]- 215.01147 144.1
[M+NH4]+ 234.05257 161.5
[M+K]+ 254.98191 150.5
[M+H-H2O]+ 199.01601 136.5
[M+HCOO]- 261.01695 169.7
[M+CH3COO]- 275.03260 180.3
[M+Na-2H]- 236.99342 146.9
[M]+ 216.01820 145.9
[M]- 216.01930 145.9
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