CID 788657

2-chloro-6,7-dimethylquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C12H10ClNO
SMILES
CC1=CC2=CC(=C(N=C2C=C1C)Cl)C=O
InChI
InChI=1S/C12H10ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-6H,1-2H3
InChIKey
MRKMNOLGKUJUSJ-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dimethylquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

27
Patents

219.04509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.052366 143.5
[M+Na]+ 242.034308 156.0
[M-H]- 218.037814 147.6
[M+NH4]+ 237.078913 163.6
[M+K]+ 258.008248 150.6
[M+H-H2O]+ 202.042350 137.9
[M+HCOO]- 264.043291 161.5
[M+CH3COO]- 278.058941 190.0
[M+Na-2H]- 240.019756 150.2
[M]+ 219.04454142 148.1
[M]- 219.04563858 148.1
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