CID 115498881

Benzyl 6-fluoropyridine-2-carboxylate

Structural Information

Molecular Formula
C13H10FNO2
SMILES
C1=CC=C(C=C1)COC(=O)C2=NC(=CC=C2)F
InChI
InChI=1S/C13H10FNO2/c14-12-8-4-7-11(15-12)13(16)17-9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
XOTKBAKHMILFSC-UHFFFAOYSA-N
Compound name
benzyl 6-fluoropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07683 148.3
[M+Na]+ 254.05877 156.3
[M-H]- 230.06227 152.4
[M+NH4]+ 249.10337 164.5
[M+K]+ 270.03271 153.0
[M+H-H2O]+ 214.06681 139.2
[M+HCOO]- 276.06775 170.3
[M+CH3COO]- 290.08340 188.9
[M+Na-2H]- 252.04422 154.4
[M]+ 231.06900 148.2
[M]- 231.07010 148.2
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

No patent data available for this compound.