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

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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 140.6
[M+Na]+ 226.99825 155.8
[M+NH4]+ 222.04285 146.2
[M+K]+ 242.97219 145.0
[M-H]- 203.00175 135.7
[M+Na-2H]- 224.98370 145.4
[M]+ 204.00848 140.9
[M]- 204.00958 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.