CID 72214646

1393576-06-1

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1C2=C(CNC1=O)C=CC(=N2)Cl
InChI
InChI=1S/C8H7ClN2O/c9-7-2-1-5-4-10-8(12)3-6(5)11-7/h1-2H,3-4H2,(H,10,12)
InChIKey
DEYKQZWDQRUPHC-UHFFFAOYSA-N
Compound name
2-chloro-6,8-dihydro-5H-1,6-naphthyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.02469 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 133.9
[M+Na]+ 205.01391 148.5
[M+NH4]+ 200.05851 143.0
[M+K]+ 220.98785 141.2
[M-H]- 181.01741 135.4
[M+Na-2H]- 202.99936 140.3
[M]+ 182.02414 136.6
[M]- 182.02524 136.6
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.