CID 767416

2-chloro-7-ethoxyquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CCOC1=CC2=NC(=C(C=C2C=C1)C=O)Cl
InChI
InChI=1S/C12H10ClNO2/c1-2-16-10-4-3-8-5-9(7-15)12(13)14-11(8)6-10/h3-7H,2H2,1H3
InChIKey
IIWVEXSCELRQAP-UHFFFAOYSA-N
Compound name
2-chloro-7-ethoxyquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

235.04001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.04729 146.9
[M+Na]+ 258.02923 158.3
[M-H]- 234.03273 150.6
[M+NH4]+ 253.07383 166.0
[M+K]+ 274.00317 153.5
[M+H-H2O]+ 218.03727 140.8
[M+HCOO]- 280.03821 165.1
[M+CH3COO]- 294.05386 190.8
[M+Na-2H]- 256.01468 154.3
[M]+ 235.03946 152.6
[M]- 235.04056 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.