CID 689081

2-chloro-6-methylquinoline-3-carboxaldehyde

Structural Information

Molecular Formula
C11H8ClNO
SMILES
CC1=CC2=CC(=C(N=C2C=C1)Cl)C=O
InChI
InChI=1S/C11H8ClNO/c1-7-2-3-10-8(4-7)5-9(6-14)11(12)13-10/h2-6H,1H3
InChIKey
FSLNYYZJXMGKHK-UHFFFAOYSA-N
Compound name
2-chloro-6-methylquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

100
Patents

205.02943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03671 139.1
[M+Na]+ 228.01865 151.1
[M-H]- 204.02215 143.0
[M+NH4]+ 223.06325 159.5
[M+K]+ 243.99259 145.9
[M+H-H2O]+ 188.02669 133.4
[M+HCOO]- 250.02763 157.4
[M+CH3COO]- 264.04328 185.8
[M+Na-2H]- 226.00410 147.0
[M]+ 205.02888 143.0
[M]- 205.02998 143.0
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