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]+ 205.016306 142.2
[M+Na]+ 226.998248 156.0
[M-H]- 203.001754 144.0
[M+NH4]+ 222.042853 159.6
[M+K]+ 242.972188 148.4
[M+H-H2O]+ 187.006290 130.4
[M+HCOO]- 249.007231 156.2
[M+CH3COO]- 263.022881 154.1
[M+Na-2H]- 224.983696 149.1
[M]+ 204.00848142 138.4
[M]- 204.00957858 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.