CID 514148

2-[hydroxy(phenyl)phosphoryl]acetic acid

Structural Information

Molecular Formula
C8H9O4P
SMILES
C1=CC=C(C=C1)P(=O)(CC(=O)O)O
InChI
InChI=1S/C8H9O4P/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)(H,11,12)
InChIKey
FGALVVBOIVDPLP-UHFFFAOYSA-N
Compound name
2-[hydroxy(phenyl)phosphoryl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

54
Patents

200.02385 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03113 142.1
[M+Na]+ 223.01307 149.0
[M-H]- 199.01657 142.0
[M+NH4]+ 218.05767 160.1
[M+K]+ 238.98701 147.2
[M+H-H2O]+ 183.02111 134.8
[M+HCOO]- 245.02205 167.7
[M+CH3COO]- 259.03770 177.6
[M+Na-2H]- 220.99852 145.6
[M]+ 200.02330 142.4
[M]- 200.02440 142.4
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