CID 50999345

5,7-dichloro-1,6-naphthyridin-4-ol

Structural Information

Molecular Formula
C8H4Cl2N2O
SMILES
C1=CNC2=CC(=NC(=C2C1=O)Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O/c9-6-3-4-7(8(10)12-6)5(13)1-2-11-4/h1-3H,(H,11,13)
InChIKey
KFJIDHGCUDTBGV-UHFFFAOYSA-N
Compound name
5,7-dichloro-1H-1,6-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

213.97006 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97734 136.2
[M+Na]+ 236.95928 149.1
[M-H]- 212.96278 136.7
[M+NH4]+ 232.00388 154.4
[M+K]+ 252.93322 142.5
[M+H-H2O]+ 196.96732 130.8
[M+HCOO]- 258.96826 147.4
[M+CH3COO]- 272.98391 149.3
[M+Na-2H]- 234.94473 144.4
[M]+ 213.96951 138.5
[M]- 213.97061 138.5
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