CID 103186412

3-fluoro-5-(pyridin-2-yl)benzoic acid

Structural Information

Molecular Formula
C12H8FNO2
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=C2)F)C(=O)O
InChI
InChI=1S/C12H8FNO2/c13-10-6-8(5-9(7-10)12(15)16)11-3-1-2-4-14-11/h1-7H,(H,15,16)
InChIKey
QYTQHZNGEJNCMN-UHFFFAOYSA-N
Compound name
3-fluoro-5-pyridin-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.05391 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.061186 143.5
[M+Na]+ 240.043128 152.5
[M-H]- 216.046634 146.8
[M+NH4]+ 235.087733 159.8
[M+K]+ 256.017068 148.5
[M+H-H2O]+ 200.051170 135.2
[M+HCOO]- 262.052111 164.3
[M+CH3COO]- 276.067761 185.1
[M+Na-2H]- 238.028576 149.1
[M]+ 217.05336142 141.8
[M]- 217.05445858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe