CID 860227

2-chloro-6-ethylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H9ClN2
SMILES
CCC1=CC2=CC(=C(N=C2C=C1)Cl)C#N
InChI
InChI=1S/C12H9ClN2/c1-2-8-3-4-11-9(5-8)6-10(7-14)12(13)15-11/h3-6H,2H2,1H3
InChIKey
ZZBSVGBZSYQFSD-UHFFFAOYSA-N
Compound name
2-chloro-6-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]+ 217.052706 146.0
[M+Na]+ 239.034648 159.3
[M-H]- 215.038154 148.7
[M+NH4]+ 234.079253 163.8
[M+K]+ 255.008588 151.9
[M+H-H2O]+ 199.042690 133.6
[M+HCOO]- 261.043631 160.4
[M+CH3COO]- 275.059281 158.0
[M+Na-2H]- 237.020096 152.5
[M]+ 216.04488142 143.9
[M]- 216.04597858 143.9
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.