CID 809556

4-chloro-2,8-dimethylquinoline

Structural Information

Molecular Formula
C11H10ClN
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C)Cl
InChI
InChI=1S/C11H10ClN/c1-7-4-3-5-9-10(12)6-8(2)13-11(7)9/h3-6H,1-2H3
InChIKey
ILOAZUIOTZZIBK-UHFFFAOYSA-N
Compound name
4-chloro-2,8-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

191.05017 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.057446 137.0
[M+Na]+ 214.039388 148.7
[M-H]- 190.042894 140.8
[M+NH4]+ 209.083993 158.1
[M+K]+ 230.013328 143.6
[M+H-H2O]+ 174.047430 131.4
[M+HCOO]- 236.048371 154.9
[M+CH3COO]- 250.064021 151.3
[M+Na-2H]- 212.024836 144.9
[M]+ 191.04962142 140.1
[M]- 191.05071858 140.1
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

patents stripe