CID 131075475

1805602-56-5

Structural Information

Molecular Formula
C5H5FN2O
SMILES
C1=CNC(=O)C(=C1F)N
InChI
InChI=1S/C5H5FN2O/c6-3-1-2-8-5(9)4(3)7/h1-2H,7H2,(H,8,9)
InChIKey
CVRDTHQUWGJGCU-UHFFFAOYSA-N
Compound name
3-amino-4-fluoro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

128.03859 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04587 119.6
[M+Na]+ 151.02781 129.7
[M-H]- 127.03131 119.7
[M+NH4]+ 146.07241 139.6
[M+K]+ 167.00175 126.7
[M+H-H2O]+ 111.03585 113.2
[M+HCOO]- 173.03679 142.5
[M+CH3COO]- 187.05244 169.5
[M+Na-2H]- 149.01326 126.7
[M]+ 128.03804 115.3
[M]- 128.03914 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

No literature data available for this compound.

Patent stripe

patents stripe