CID 2764138

Ethyl 6-bromo-4-chloroquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H9BrClNO2
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)Br
InChI
InChI=1S/C12H9BrClNO2/c1-2-17-12(16)9-6-15-10-4-3-7(13)5-8(10)11(9)14/h3-6H,2H2,1H3
InChIKey
YGMLKBFPHVLHGT-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-4-chloroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

312.95053 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.95781 155.7
[M+Na]+ 335.93975 169.7
[M-H]- 311.94325 162.0
[M+NH4]+ 330.98435 175.3
[M+K]+ 351.91369 157.0
[M+H-H2O]+ 295.94779 155.9
[M+HCOO]- 357.94873 170.7
[M+CH3COO]- 371.96438 200.3
[M+Na-2H]- 333.92520 162.9
[M]+ 312.94998 179.0
[M]- 312.95108 179.0
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