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 162.1
[M+Na]+ 313.05950 169.4
[M-H]- 289.06300 164.7
[M+NH4]+ 308.10410 174.2
[M+K]+ 329.03344 166.8
[M+H-H2O]+ 273.06754 151.6
[M+HCOO]- 335.06848 182.0
[M+CH3COO]- 349.08413 198.1
[M+Na-2H]- 311.04495 166.7
[M]+ 290.06973 164.3
[M]- 290.07083 164.3
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.