CID 11378949

364064-17-5

Structural Information

Molecular Formula
C12H8FNO2
SMILES
C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)F
InChI
InChI=1S/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
InChIKey
KISDAKHYANOMTN-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 143.5
[M+Na]+ 240.04313 152.5
[M-H]- 216.04663 146.8
[M+NH4]+ 235.08773 159.8
[M+K]+ 256.01707 148.5
[M+H-H2O]+ 200.05117 135.2
[M+HCOO]- 262.05211 164.3
[M+CH3COO]- 276.06776 185.1
[M+Na-2H]- 238.02858 149.1
[M]+ 217.05336 141.8
[M]- 217.05446 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

literature stripe

Patent stripe

patents stripe