CID 211900

Brn 0484226

Structural Information

Molecular Formula
C13H11FN2O2
SMILES
C1=CC(=CN=C1)CC(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C13H11FN2O2/c14-12-4-11(7-16-8-12)9-18-13(17)5-10-2-1-3-15-6-10/h1-4,6-8H,5,9H2
InChIKey
IDDLBJPPUNSPBZ-UHFFFAOYSA-N
Compound name
(5-fluoropyridin-3-yl)methyl 2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.08046 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08774 152.8
[M+Na]+ 269.06968 160.8
[M-H]- 245.07318 155.4
[M+NH4]+ 264.11428 167.0
[M+K]+ 285.04362 157.2
[M+H-H2O]+ 229.07772 142.7
[M+HCOO]- 291.07866 173.4
[M+CH3COO]- 305.09431 191.6
[M+Na-2H]- 267.05513 159.0
[M]+ 246.07991 153.2
[M]- 246.08101 153.2
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.