CID 16765326

4-chloro-2,7,8-trimethylquinoline

Structural Information

Molecular Formula
C12H12ClN
SMILES
CC1=C(C2=NC(=CC(=C2C=C1)Cl)C)C
InChI
InChI=1S/C12H12ClN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKey
NDTSUKTWPJRMAV-UHFFFAOYSA-N
Compound name
4-chloro-2,7,8-trimethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07311 141.5
[M+Na]+ 228.05505 153.7
[M-H]- 204.05855 145.4
[M+NH4]+ 223.09965 162.3
[M+K]+ 244.02899 148.4
[M+H-H2O]+ 188.06309 135.9
[M+HCOO]- 250.06403 159.0
[M+CH3COO]- 264.07968 155.7
[M+Na-2H]- 226.04050 148.1
[M]+ 205.06528 145.3
[M]- 205.06638 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