CID 211814

Brn 0493348

Structural Information

Molecular Formula
C14H10F2N2O4
SMILES
C1=C(C=NC=C1F)C(=O)OCCOC(=O)C2=CC(=CN=C2)F
InChI
InChI=1S/C14H10F2N2O4/c15-11-3-9(5-17-7-11)13(19)21-1-2-22-14(20)10-4-12(16)8-18-6-10/h3-8H,1-2H2
InChIKey
ZYRKGMKFBGAAOZ-UHFFFAOYSA-N
Compound name
2-(5-fluoropyridine-3-carbonyl)oxyethyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.06085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06813 164.8
[M+Na]+ 331.05007 173.1
[M-H]- 307.05357 166.4
[M+NH4]+ 326.09467 176.4
[M+K]+ 347.02401 170.0
[M+H-H2O]+ 291.05811 153.5
[M+HCOO]- 353.05905 183.6
[M+CH3COO]- 367.07470 202.0
[M+Na-2H]- 329.03552 168.1
[M]+ 308.06030 166.3
[M]- 308.06140 166.3
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.