CID 20100007

5-(2-fluorophenyl)nicotinic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

217.05391 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.06119 146.1
[M+Na]+ 240.04313 160.2
[M+NH4]+ 235.08773 153.5
[M+K]+ 256.01707 153.6
[M-H]- 216.04663 148.0
[M+Na-2H]- 238.02858 154.6
[M]+ 217.05336 148.6
[M]- 217.05446 148.6
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