CID 216816

Brn 0427722

Structural Information

Molecular Formula
C14H11FN2O4
SMILES
C1=CC(=CN=C1)C(=O)OCCOC(=O)C2=CC(=CN=C2)F
InChI
InChI=1S/C14H11FN2O4/c15-12-6-11(8-17-9-12)14(19)21-5-4-20-13(18)10-2-1-3-16-7-10/h1-3,6-9H,4-5H2
InChIKey
PRJGVMLPVJPQGN-UHFFFAOYSA-N
Compound name
2-(pyridine-3-carbonyloxy)ethyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.07028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07756 163.8
[M+Na]+ 313.05950 175.9
[M+NH4]+ 308.10410 168.7
[M+K]+ 329.03344 170.6
[M-H]- 289.06300 163.6
[M+Na-2H]- 311.04495 170.7
[M]+ 290.06973 165.1
[M]- 290.07083 165.1
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.