CID 512086

Phosphinecarboxylic acid, dihydroxy-, phenylmethyl ester, oxide

Structural Information

Molecular Formula
C8H9O5P
SMILES
C1=CC=C(C=C1)COC(=O)P(=O)(O)O
InChI
InChI=1S/C8H9O5P/c9-8(14(10,11)12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12)
InChIKey
ZCOWKZYTEWZRSU-UHFFFAOYSA-N
Compound name
phenylmethoxycarbonylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

216.01875 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02603 144.7
[M+Na]+ 239.00797 151.4
[M-H]- 215.01147 144.6
[M+NH4]+ 234.05257 162.0
[M+K]+ 254.98191 150.3
[M+H-H2O]+ 199.01601 137.1
[M+HCOO]- 261.01695 170.5
[M+CH3COO]- 275.03260 179.1
[M+Na-2H]- 236.99342 148.3
[M]+ 216.01820 146.3
[M]- 216.01930 146.3
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