CID 788658

2-chloro-6-ethoxyquinoline-3-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

235.04001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.047286 146.9
[M+Na]+ 258.029228 158.3
[M-H]- 234.032734 150.6
[M+NH4]+ 253.073833 166.0
[M+K]+ 274.003168 153.5
[M+H-H2O]+ 218.037270 140.8
[M+HCOO]- 280.038211 165.1
[M+CH3COO]- 294.053861 190.8
[M+Na-2H]- 256.014676 154.3
[M]+ 235.03946142 152.6
[M]- 235.04055858 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

patents stripe