CID 24706863

6-chloro-4-oxo-1,4-dihydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H5ClN2O
SMILES
C1=CC2=C(C=C1Cl)C(=O)C(=CN2)C#N
InChI
InChI=1S/C10H5ClN2O/c11-7-1-2-9-8(3-7)10(14)6(4-12)5-13-9/h1-3,5H,(H,13,14)
InChIKey
GEJOOHABEZBOAT-UHFFFAOYSA-N
Compound name
6-chloro-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00903 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01631 142.2
[M+Na]+ 226.99825 156.0
[M-H]- 203.00175 144.0
[M+NH4]+ 222.04285 159.6
[M+K]+ 242.97219 148.4
[M+H-H2O]+ 187.00629 130.4
[M+HCOO]- 249.00723 156.2
[M+CH3COO]- 263.02288 154.1
[M+Na-2H]- 224.98370 149.1
[M]+ 204.00848 138.4
[M]- 204.00958 138.4
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.