CID 2782684

2-(3-fluorophenyl)benzoic acid

Structural Information

Molecular Formula
C13H9FO2
SMILES
C1=CC=C(C(=C1)C2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C13H9FO2/c14-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13(15)16/h1-8H,(H,15,16)
InChIKey
GEZNPQHOTCPFEL-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

216.05865 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.065926 143.4
[M+Na]+ 239.047868 152.0
[M-H]- 215.051374 148.1
[M+NH4]+ 234.092473 161.2
[M+K]+ 255.021808 148.0
[M+H-H2O]+ 199.055910 136.0
[M+HCOO]- 261.056851 165.3
[M+CH3COO]- 275.072501 185.5
[M+Na-2H]- 237.033316 148.4
[M]+ 216.05810142 141.6
[M]- 216.05919858 141.6
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