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]+ 167.061516 131.4
[M+Na]+ 189.043458 140.4
[M-H]- 165.046964 130.5
[M+NH4]+ 184.088063 149.7
[M+K]+ 205.017398 136.6
[M+H-H2O]+ 149.051500 123.6
[M+HCOO]- 211.052441 148.5
[M+CH3COO]- 225.068091 143.7
[M+Na-2H]- 187.028906 138.9
[M]+ 166.05369142 126.4
[M]- 166.05478858 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.