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 169.0
[M+Na]+ 345.06572 176.6
[M-H]- 321.06922 170.5
[M+NH4]+ 340.11032 179.9
[M+K]+ 361.03966 173.8
[M+H-H2O]+ 305.07376 157.7
[M+HCOO]- 367.07470 186.5
[M+CH3COO]- 381.09035 205.9
[M+Na-2H]- 343.05117 170.7
[M]+ 322.07595 170.3
[M]- 322.07705 170.3
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.