CID 211184

Ethyl 5-fluoronicotinate

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CCOC(=O)C1=CC(=CN=C1)F
InChI
InChI=1S/C8H8FNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
InChIKey
GAOUAPNRNSFZGW-UHFFFAOYSA-N
Compound name
ethyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

169.05391 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.061186 131.2
[M+Na]+ 192.043128 140.1
[M-H]- 168.046634 132.5
[M+NH4]+ 187.087733 150.5
[M+K]+ 208.017068 138.9
[M+H-H2O]+ 152.051170 124.0
[M+HCOO]- 214.052111 153.5
[M+CH3COO]- 228.067761 178.1
[M+Na-2H]- 190.028576 137.6
[M]+ 169.05336142 132.0
[M]- 169.05445858 132.0
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