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]+ 233.07208 148.2
[M+Na]+ 255.05402 156.6
[M-H]- 231.05752 151.0
[M+NH4]+ 250.09862 162.9
[M+K]+ 271.02796 153.2
[M+H-H2O]+ 215.06206 138.3
[M+HCOO]- 277.06300 169.1
[M+CH3COO]- 291.07865 188.6
[M+Na-2H]- 253.03947 155.0
[M]+ 232.06425 148.3
[M]- 232.06535 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.