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]+ 270.008316 152.0
[M+Na]+ 291.990258 163.5
[M-H]- 267.993764 155.0
[M+NH4]+ 287.034863 170.1
[M+K]+ 307.964198 157.9
[M+H-H2O]+ 251.998300 146.7
[M+HCOO]- 313.999241 164.1
[M+CH3COO]- 328.014891 195.5
[M+Na-2H]- 289.975706 157.5
[M]+ 269.00049142 158.1
[M]- 269.00158858 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

literature stripe

Patent stripe

patents stripe