CID 1479087

Ethyl 4,6-dichloroquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H9Cl2NO2
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)Cl
InChI
InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3
InChIKey
BSSNTDZRVNQGDF-UHFFFAOYSA-N
Compound name
ethyl 4,6-dichloroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

269.00104 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00832 152.0
[M+Na]+ 291.99026 163.5
[M-H]- 267.99376 155.0
[M+NH4]+ 287.03486 170.1
[M+K]+ 307.96420 157.9
[M+H-H2O]+ 251.99830 146.7
[M+HCOO]- 313.99924 164.1
[M+CH3COO]- 328.01489 195.5
[M+Na-2H]- 289.97571 157.5
[M]+ 269.00049 158.1
[M]- 269.00159 158.1
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.