CID 2497647

2-chloro-4,7-dimethylquinoline

Structural Information

Molecular Formula
C11H10ClN
SMILES
CC1=CC2=C(C=C1)C(=CC(=N2)Cl)C
InChI
InChI=1S/C11H10ClN/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
InChIKey
ZIRCVSFZBBQATJ-UHFFFAOYSA-N
Compound name
2-chloro-4,7-dimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

191.05017 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05745 137.0
[M+Na]+ 214.03939 148.7
[M-H]- 190.04289 140.8
[M+NH4]+ 209.08399 158.1
[M+K]+ 230.01333 143.6
[M+H-H2O]+ 174.04743 131.4
[M+HCOO]- 236.04837 154.9
[M+CH3COO]- 250.06402 151.3
[M+Na-2H]- 212.02484 144.9
[M]+ 191.04962 140.1
[M]- 191.05072 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

No literature data available for this compound.

Patent stripe

patents stripe