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]+ 232.076826 148.3
[M+Na]+ 254.058768 156.3
[M-H]- 230.062274 152.4
[M+NH4]+ 249.103373 164.5
[M+K]+ 270.032708 153.0
[M+H-H2O]+ 214.066810 139.2
[M+HCOO]- 276.067751 170.3
[M+CH3COO]- 290.083401 188.9
[M+Na-2H]- 252.044216 154.4
[M]+ 231.06900142 148.2
[M]- 231.07009858 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.