CID 732017

4-chloro-2,6,8-trimethylquinoline

Structural Information

Molecular Formula
C12H12ClN
SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C)Cl)C
InChI
InChI=1S/C12H12ClN/c1-7-4-8(2)12-10(5-7)11(13)6-9(3)14-12/h4-6H,1-3H3
InChIKey
FGGSFRDVXDCVEI-UHFFFAOYSA-N
Compound name
4-chloro-2,6,8-trimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.06583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.073106 141.5
[M+Na]+ 228.055048 153.7
[M-H]- 204.058554 145.4
[M+NH4]+ 223.099653 162.3
[M+K]+ 244.028988 148.4
[M+H-H2O]+ 188.063090 135.9
[M+HCOO]- 250.064031 159.0
[M+CH3COO]- 264.079681 155.7
[M+Na-2H]- 226.040496 148.1
[M]+ 205.06528142 145.3
[M]- 205.06637858 145.3
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