CID 15652848

4-chloro-1,2-dihydro-1,8-naphthyridin-2-one

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
C1=CC2=C(NC(=O)C=C2Cl)N=C1
InChI
InChI=1S/C8H5ClN2O/c9-6-4-7(12)11-8-5(6)2-1-3-10-8/h1-4H,(H,10,11,12)
InChIKey
JTKWCVXNACUCAQ-UHFFFAOYSA-N
Compound name
4-chloro-1H-1,8-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.00903 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.016306 131.0
[M+Na]+ 202.998248 142.8
[M-H]- 179.001754 132.0
[M+NH4]+ 198.042853 149.9
[M+K]+ 218.972188 137.3
[M+H-H2O]+ 163.006290 124.9
[M+HCOO]- 225.007231 147.4
[M+CH3COO]- 239.022881 144.6
[M+Na-2H]- 200.983696 140.8
[M]+ 180.00848142 132.0
[M]- 180.00957858 132.0
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