CID 211894

23723-27-5

Structural Information

Molecular Formula
C12H8F2N2O2
SMILES
C1=C(C=NC=C1F)COC(=O)C2=CC(=CN=C2)F
InChI
InChI=1S/C12H8F2N2O2/c13-10-1-8(3-15-5-10)7-18-12(17)9-2-11(14)6-16-4-9/h1-6H,7H2
InChIKey
ZIVVDWHYYSISKS-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.05539 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06267 154.1
[M+Na]+ 273.04461 166.9
[M+NH4]+ 268.08921 159.9
[M+K]+ 289.01855 160.6
[M-H]- 249.04811 153.8
[M+Na-2H]- 271.03006 161.5
[M]+ 250.05484 155.6
[M]- 250.05594 155.6
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.