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-fluoropyridin-3-yl)methyl 2-(5-fluoropyridin-3-yl)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]+ 265.07832 155.6
[M+Na]+ 287.06026 164.6
[M-H]- 263.06376 157.2
[M+NH4]+ 282.10486 169.3
[M+K]+ 303.03420 160.5
[M+H-H2O]+ 247.06830 144.7
[M+HCOO]- 309.06924 175.1
[M+CH3COO]- 323.08489 195.4
[M+Na-2H]- 285.04571 160.5
[M]+ 264.07049 155.3
[M]- 264.07159 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.