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

50
Patents

213.97006 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.977336 136.2
[M+Na]+ 236.959278 149.1
[M-H]- 212.962784 136.7
[M+NH4]+ 232.003883 154.4
[M+K]+ 252.933218 142.5
[M+H-H2O]+ 196.967320 130.8
[M+HCOO]- 258.968261 147.4
[M+CH3COO]- 272.983911 149.3
[M+Na-2H]- 234.944726 144.4
[M]+ 213.96951142 138.5
[M]- 213.97060858 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