CID 165661403

2,2-difluoro-1-(6-methoxypyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
COC1=NC=C(C=C1)C(=O)C(F)F
InChI
InChI=1S/C8H7F2NO2/c1-13-6-3-2-5(4-11-6)7(12)8(9)10/h2-4,8H,1H3
InChIKey
VUEJQHNYMBAHBJ-UHFFFAOYSA-N
Compound name
2,2-difluoro-1-(6-methoxy-3-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04448 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.051756 133.7
[M+Na]+ 210.033698 142.3
[M-H]- 186.037204 133.6
[M+NH4]+ 205.078303 152.0
[M+K]+ 226.007638 141.0
[M+H-H2O]+ 170.041740 125.5
[M+HCOO]- 232.042681 153.8
[M+CH3COO]- 246.058331 182.4
[M+Na-2H]- 208.019146 138.2
[M]+ 187.04393142 132.8
[M]- 187.04502858 132.8
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.