CID 683685

Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H10BrNO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)Br
InChI
InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey
WJFBKTAITAHHAR-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-4-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

294.9844 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.991676 153.6
[M+Na]+ 317.973618 166.1
[M-H]- 293.977124 158.6
[M+NH4]+ 313.018223 172.1
[M+K]+ 333.947558 154.3
[M+H-H2O]+ 277.981660 153.1
[M+HCOO]- 339.982601 171.8
[M+CH3COO]- 353.998251 195.7
[M+Na-2H]- 315.959066 160.6
[M]+ 294.98385142 173.9
[M]- 294.98494858 173.9
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