CID 13914611

105252-97-9

Structural Information

Molecular Formula
C5H5FN2O
SMILES
C1=CNC(=O)C(=C1N)F
InChI
InChI=1S/C5H5FN2O/c6-4-3(7)1-2-8-5(4)9/h1-2H,(H3,7,8,9)
InChIKey
AILAIIIKPAXPHN-UHFFFAOYSA-N
Compound name
4-amino-3-fluoro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

128.03859 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.045866 119.6
[M+Na]+ 151.027808 129.7
[M-H]- 127.031314 119.7
[M+NH4]+ 146.072413 139.6
[M+K]+ 167.001748 126.7
[M+H-H2O]+ 111.035850 113.2
[M+HCOO]- 173.036791 142.5
[M+CH3COO]- 187.052441 169.5
[M+Na-2H]- 149.013256 126.7
[M]+ 128.03804142 115.3
[M]- 128.03913858 115.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe