CID 177800333

Ethyl 3,3-difluoro-3-(pyridin-4-yl)propanoate

Structural Information

Molecular Formula
C10H11F2NO2
SMILES
CCOC(=O)CC(C1=CC=NC=C1)(F)F
InChI
InChI=1S/C10H11F2NO2/c1-2-15-9(14)7-10(11,12)8-3-5-13-6-4-8/h3-6H,2,7H2,1H3
InChIKey
XWOVLOPVMSFXGW-UHFFFAOYSA-N
Compound name
ethyl 3,3-difluoro-3-pyridin-4-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]+ 216.083066 144.0
[M+Na]+ 238.065008 151.6
[M-H]- 214.068514 143.5
[M+NH4]+ 233.109613 161.1
[M+K]+ 254.038948 149.7
[M+H-H2O]+ 198.073050 135.7
[M+HCOO]- 260.073991 162.9
[M+CH3COO]- 274.089641 186.1
[M+Na-2H]- 236.050456 150.0
[M]+ 215.07524142 143.5
[M]- 215.07633858 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.