CID 211816

23586-90-5

Structural Information

Molecular Formula
C15H12F2N2O4
SMILES
CC(COC(=O)C1=CC(=CN=C1)F)OC(=O)C2=CC(=CN=C2)F
InChI
InChI=1S/C15H12F2N2O4/c1-9(23-15(21)11-3-13(17)7-19-5-11)8-22-14(20)10-2-12(16)6-18-4-10/h2-7,9H,8H2,1H3
InChIKey
ZBIBQGWYPMWCPN-UHFFFAOYSA-N
Compound name
2-(5-fluoropyridine-3-carbonyl)oxypropyl 5-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0765 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08378 171.5
[M+Na]+ 345.06572 182.1
[M+NH4]+ 340.11032 175.1
[M+K]+ 361.03966 177.7
[M-H]- 321.06922 169.5
[M+Na-2H]- 343.05117 176.5
[M]+ 322.07595 172.0
[M]- 322.07705 172.0
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.