CID 59633981

Ethyl 2,2-difluoro-2-(pyridin-4-yl)acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 139.3
[M+Na]+ 224.04935 147.3
[M-H]- 200.05285 139.0
[M+NH4]+ 219.09395 157.0
[M+K]+ 240.02329 145.7
[M+H-H2O]+ 184.05739 131.2
[M+HCOO]- 246.05833 158.5
[M+CH3COO]- 260.07398 183.0
[M+Na-2H]- 222.03480 145.9
[M]+ 201.05958 138.3
[M]- 201.06068 138.3
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