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-fluoro-3-pyridinyl)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]+ 251.062666 151.0
[M+Na]+ 273.044608 160.4
[M-H]- 249.048114 152.7
[M+NH4]+ 268.089213 165.2
[M+K]+ 289.018548 156.5
[M+H-H2O]+ 233.052650 140.2
[M+HCOO]- 295.053591 170.8
[M+CH3COO]- 309.069241 192.5
[M+Na-2H]- 271.030056 156.4
[M]+ 250.05484142 150.4
[M]- 250.05593858 150.4
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.