CID 62394679

Ethyl 2,2-difluoro-2-(pyridin-3-yl)acetate

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
CCOC(=O)C(C1=CN=CC=C1)(F)F
InChI
InChI=1S/C9H9F2NO2/c1-2-14-8(13)9(10,11)7-4-3-5-12-6-7/h3-6H,2H2,1H3
InChIKey
AWLSGVYFEADZHF-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06013 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06741 143.1
[M+Na]+ 224.04935 153.0
[M+NH4]+ 219.09395 148.9
[M+K]+ 240.02329 148.3
[M-H]- 200.05285 140.4
[M+Na-2H]- 222.03480 148.1
[M]+ 201.05958 143.5
[M]- 201.06068 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.