CID 17039804

2-chloro-6,8-dimethylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H9ClN2
SMILES
CC1=CC(=C2C(=C1)C=C(C(=N2)Cl)C#N)C
InChI
InChI=1S/C12H9ClN2/c1-7-3-8(2)11-9(4-7)5-10(6-14)12(13)15-11/h3-5H,1-2H3
InChIKey
HIBWIMLJOVOQMM-UHFFFAOYSA-N
Compound name
2-chloro-6,8-dimethylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04543 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05271 144.5
[M+Na]+ 239.03465 160.5
[M+NH4]+ 234.07925 150.9
[M+K]+ 255.00859 148.9
[M-H]- 215.03815 140.7
[M+Na-2H]- 237.02010 149.8
[M]+ 216.04488 145.4
[M]- 216.04598 145.4
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.