CID 44343974

105252-99-1

Structural Information

Molecular Formula
C5H5FN2O
SMILES
C1=C(C=C(NC1=O)F)N
InChI
InChI=1S/C5H5FN2O/c6-4-1-3(7)2-5(9)8-4/h1-2H,(H3,7,8,9)
InChIKey
JXVOJRFIZVMYKD-UHFFFAOYSA-N
Compound name
4-amino-6-fluoro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
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 120.4
[M+Na]+ 151.02781 132.1
[M+NH4]+ 146.07241 127.7
[M+K]+ 167.00175 127.1
[M-H]- 127.03131 120.4
[M+Na-2H]- 149.01326 126.6
[M]+ 128.03804 121.7
[M]- 128.03914 121.7
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