CID 242724

Methyl 2-fluoronicotinate

Structural Information

Molecular Formula
C7H6FNO2
SMILES
COC(=O)C1=C(N=CC=C1)F
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChIKey
PJNHJXKXBSOLBH-UHFFFAOYSA-N
Compound name
methyl 2-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

155.03825 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04553 126.4
[M+Na]+ 178.02747 135.8
[M-H]- 154.03097 128.0
[M+NH4]+ 173.07207 146.3
[M+K]+ 194.00141 134.8
[M+H-H2O]+ 138.03551 119.4
[M+HCOO]- 200.03645 149.1
[M+CH3COO]- 214.05210 175.0
[M+Na-2H]- 176.01292 133.4
[M]+ 155.03770 126.9
[M]- 155.03880 126.9
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