CID 216820

37744-35-7

Structural Information

Molecular Formula
C13H10F2N2O2
SMILES
C1=C(C=NC=C1F)CC(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C13H10F2N2O2/c14-11-1-9(4-16-6-11)3-13(18)19-8-10-2-12(15)7-17-5-10/h1-2,4-7H,3,8H2
InChIKey
JPENMDFPKXDLSG-UHFFFAOYSA-N
Compound name
(5-fluoro-3-pyridinyl)methyl 2-(5-fluoro-3-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07104 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.078316 155.6
[M+Na]+ 287.060258 164.6
[M-H]- 263.063764 157.2
[M+NH4]+ 282.104863 169.3
[M+K]+ 303.034198 160.5
[M+H-H2O]+ 247.068300 144.7
[M+HCOO]- 309.069241 175.1
[M+CH3COO]- 323.084891 195.4
[M+Na-2H]- 285.045706 160.5
[M]+ 264.07049142 155.3
[M]- 264.07158858 155.3
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.