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 151.0
[M+Na]+ 273.04461 160.4
[M-H]- 249.04811 152.7
[M+NH4]+ 268.08921 165.2
[M+K]+ 289.01855 156.5
[M+H-H2O]+ 233.05265 140.2
[M+HCOO]- 295.05359 170.8
[M+CH3COO]- 309.06924 192.5
[M+Na-2H]- 271.03006 156.4
[M]+ 250.05484 150.4
[M]- 250.05594 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.