CID 279186

2-[hydroxy(phenyl)phosphoryl]benzoic acid

Structural Information

Molecular Formula
C13H11O4P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C13H11O4P/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H,(H,14,15)(H,16,17)
InChIKey
YZBFTNBIUIQVLE-UHFFFAOYSA-N
Compound name
2-[hydroxy(phenyl)phosphoryl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

262.0395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04678 157.5
[M+Na]+ 285.02872 164.2
[M-H]- 261.03222 160.6
[M+NH4]+ 280.07332 172.7
[M+K]+ 301.00266 160.9
[M+H-H2O]+ 245.03676 148.6
[M+HCOO]- 307.03770 182.8
[M+CH3COO]- 321.05335 189.9
[M+Na-2H]- 283.01417 160.1
[M]+ 262.03895 157.1
[M]- 262.04005 157.1
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