CID 211896

23723-29-7

Structural Information

Molecular Formula
C12H9FN2O2
SMILES
C1=CC(=CN=C1)COC(=O)C2=CC(=CN=C2)F
InChI
InChI=1S/C12H9FN2O2/c13-11-4-10(6-15-7-11)12(16)17-8-9-2-1-3-14-5-9/h1-7H,8H2
InChIKey
JUOAVMLVMVXXFF-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0648 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.072076 148.2
[M+Na]+ 255.054018 156.6
[M-H]- 231.057524 151.0
[M+NH4]+ 250.098623 162.9
[M+K]+ 271.027958 153.2
[M+H-H2O]+ 215.062060 138.3
[M+HCOO]- 277.063001 169.1
[M+CH3COO]- 291.078651 188.6
[M+Na-2H]- 253.039466 155.0
[M]+ 232.06425142 148.3
[M]- 232.06534858 148.3
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.