CID 83853745

Ethyl 3,3-difluoro-3-(pyridin-3-yl)propanoate

Structural Information

Molecular Formula
C10H11F2NO2
SMILES
CCOC(=O)CC(C1=CN=CC=C1)(F)F
InChI
InChI=1S/C10H11F2NO2/c1-2-15-9(14)6-10(11,12)8-4-3-5-13-7-8/h3-5,7H,2,6H2,1H3
InChIKey
AAFBPODUGYHXIQ-UHFFFAOYSA-N
Compound name
ethyl 3,3-difluoro-3-pyridin-3-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08307 144.0
[M+Na]+ 238.06501 151.6
[M-H]- 214.06851 143.5
[M+NH4]+ 233.10961 161.1
[M+K]+ 254.03895 149.7
[M+H-H2O]+ 198.07305 135.7
[M+HCOO]- 260.07399 162.9
[M+CH3COO]- 274.08964 186.1
[M+Na-2H]- 236.05046 150.0
[M]+ 215.07524 143.5
[M]- 215.07634 143.5
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

No patent data available for this compound.