CID 56773850

6-chloro-2-hydroxy-1,8-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H4ClN3O
SMILES
C1=C2C=C(C(=O)NC2=NC=C1Cl)C#N
InChI
InChI=1S/C9H4ClN3O/c10-7-2-5-1-6(3-11)9(14)13-8(5)12-4-7/h1-2,4H,(H,12,13,14)
InChIKey
QVGFIQQYPNCDQN-UHFFFAOYSA-N
Compound name
6-chloro-2-oxo-1H-1,8-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.00429 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01157 140.6
[M+Na]+ 227.99351 154.3
[M-H]- 203.99701 140.8
[M+NH4]+ 223.03811 156.5
[M+K]+ 243.96745 147.2
[M+H-H2O]+ 188.00155 127.7
[M+HCOO]- 250.00249 153.4
[M+CH3COO]- 264.01814 152.0
[M+Na-2H]- 225.97896 147.9
[M]+ 205.00374 136.7
[M]- 205.00484 136.7
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

No patent data available for this compound.