CID 865184

2-chloro-5,8-dimethylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H9ClN2
SMILES
CC1=C2C=C(C(=NC2=C(C=C1)C)Cl)C#N
InChI
InChI=1S/C12H9ClN2/c1-7-3-4-8(2)11-10(7)5-9(6-14)12(13)15-11/h3-5H,1-2H3
InChIKey
SXMZARFPNUVUNV-UHFFFAOYSA-N
Compound name
2-chloro-5,8-dimethylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
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]+ 217.052706 145.9
[M+Na]+ 239.034648 159.9
[M-H]- 215.038154 148.9
[M+NH4]+ 234.079253 163.9
[M+K]+ 255.008588 152.7
[M+H-H2O]+ 199.042690 133.8
[M+HCOO]- 261.043631 160.3
[M+CH3COO]- 275.059281 158.2
[M+Na-2H]- 237.020096 151.7
[M]+ 216.04488142 144.1
[M]- 216.04597858 144.1
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.