CID 57447460

Ethyl 2-(3,5-difluoropyridin-2-yl)acetate

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
CCOC(=O)CC1=C(C=C(C=N1)F)F
InChI
InChI=1S/C9H9F2NO2/c1-2-14-9(13)4-8-7(11)3-6(10)5-12-8/h3,5H,2,4H2,1H3
InChIKey
ZFTSWXRWTYKRLS-UHFFFAOYSA-N
Compound name
ethyl 2-(3,5-difluoro-2-pyridinyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

201.06013 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.067406 138.1
[M+Na]+ 224.049348 147.5
[M-H]- 200.052854 138.2
[M+NH4]+ 219.093953 156.3
[M+K]+ 240.023288 145.5
[M+H-H2O]+ 184.057390 129.8
[M+HCOO]- 246.058331 158.9
[M+CH3COO]- 260.073981 185.0
[M+Na-2H]- 222.034796 142.6
[M]+ 201.05958142 138.5
[M]- 201.06067858 138.5
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

patents stripe