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

51
Patents

205.02943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.036706 139.1
[M+Na]+ 228.018648 151.1
[M-H]- 204.022154 143.0
[M+NH4]+ 223.063253 159.5
[M+K]+ 243.992588 145.9
[M+H-H2O]+ 188.026690 133.4
[M+HCOO]- 250.027631 157.4
[M+CH3COO]- 264.043281 185.8
[M+Na-2H]- 226.004096 147.0
[M]+ 205.02888142 143.0
[M]- 205.02997858 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