CID 2782694

4'-fluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid

Structural Information

Molecular Formula
C13H9FO3
SMILES
C1=CC(=CC=C1C2=CC(=C(C=C2)O)C(=O)O)F
InChI
InChI=1S/C13H9FO3/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
InChIKey
CUXSCHTUWINJSV-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

194
Patents

232.05357 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06085 146.8
[M+Na]+ 255.04279 155.7
[M-H]- 231.04629 150.4
[M+NH4]+ 250.08739 163.4
[M+K]+ 271.01673 151.5
[M+H-H2O]+ 215.05083 139.5
[M+HCOO]- 277.05177 167.3
[M+CH3COO]- 291.06742 186.3
[M+Na-2H]- 253.02824 150.5
[M]+ 232.05302 144.9
[M]- 232.05412 144.9
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