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]+ 217.05271 145.9
[M+Na]+ 239.03465 159.9
[M-H]- 215.03815 148.9
[M+NH4]+ 234.07925 163.9
[M+K]+ 255.00859 152.7
[M+H-H2O]+ 199.04269 133.8
[M+HCOO]- 261.04363 160.3
[M+CH3COO]- 275.05928 158.2
[M+Na-2H]- 237.02010 151.7
[M]+ 216.04488 144.1
[M]- 216.04598 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.