CID 17039879

4-chloro-5,7-dimethylquinoline

Structural Information

Molecular Formula
C11H10ClN
SMILES
CC1=CC2=NC=CC(=C2C(=C1)C)Cl
InChI
InChI=1S/C11H10ClN/c1-7-5-8(2)11-9(12)3-4-13-10(11)6-7/h3-6H,1-2H3
InChIKey
DEARECYODQYXRO-UHFFFAOYSA-N
Compound name
4-chloro-5,7-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.05017 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05745 137.1
[M+Na]+ 214.03939 154.5
[M+NH4]+ 209.08399 147.9
[M+K]+ 230.01333 145.3
[M-H]- 190.04289 141.1
[M+Na-2H]- 212.02484 146.0
[M]+ 191.04962 141.3
[M]- 191.05072 141.3
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

patents stripe