CID 689079

2-chloro-6-methoxyquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
COC1=CC2=CC(=C(N=C2C=C1)Cl)C=O
InChI
InChI=1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3
InChIKey
TZQOMBXDCIPJKW-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxyquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

187
Patents

221.02435 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03163 142.2
[M+Na]+ 244.01357 154.0
[M-H]- 220.01707 146.0
[M+NH4]+ 239.05817 161.8
[M+K]+ 259.98751 149.4
[M+H-H2O]+ 204.02161 136.2
[M+HCOO]- 266.02255 160.7
[M+CH3COO]- 280.03820 187.8
[M+Na-2H]- 241.99902 150.1
[M]+ 221.02380 147.5
[M]- 221.02490 147.5
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