CID 177798802

5-fluoro-1,2,3,4-tetrahydro-1,6-naphthyridin-2-one

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1CC(=O)NC2=C1C(=NC=C2)F
InChI
InChI=1S/C8H7FN2O/c9-8-5-1-2-7(12)11-6(5)3-4-10-8/h3-4H,1-2H2,(H,11,12)
InChIKey
MXNODMIDEQBHEA-UHFFFAOYSA-N
Compound name
5-fluoro-3,4-dihydro-1H-1,6-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.05424 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 131.4
[M+Na]+ 189.04346 140.4
[M-H]- 165.04696 130.5
[M+NH4]+ 184.08806 149.7
[M+K]+ 205.01740 136.6
[M+H-H2O]+ 149.05150 123.6
[M+HCOO]- 211.05244 148.5
[M+CH3COO]- 225.06809 143.7
[M+Na-2H]- 187.02891 138.9
[M]+ 166.05369 126.4
[M]- 166.05479 126.4
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.