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

literature stripe

Patent stripe

patents stripe