CID 776184

68236-21-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

50
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 139.4
[M+Na]+ 228.01865 156.4
[M+NH4]+ 223.06325 149.3
[M+K]+ 243.99259 147.6
[M-H]- 204.02215 142.6
[M+Na-2H]- 226.00410 147.8
[M]+ 205.02888 143.2
[M]- 205.02998 143.2
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