CID 17039820

2-chloro-8-ethylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H9ClN2
SMILES
CCC1=CC=CC2=CC(=C(N=C21)Cl)C#N
InChI
InChI=1S/C12H9ClN2/c1-2-8-4-3-5-9-6-10(7-14)12(13)15-11(8)9/h3-6H,2H2,1H3
InChIKey
XLZCPZRZKGVZIP-UHFFFAOYSA-N
Compound name
2-chloro-8-ethylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04543 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.05271 145.5
[M+Na]+ 239.03465 161.2
[M+NH4]+ 234.07925 151.9
[M+K]+ 255.00859 149.4
[M-H]- 215.03815 141.6
[M+Na-2H]- 237.02010 150.9
[M]+ 216.04488 146.3
[M]- 216.04598 146.3
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.