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

203
Patents

312.95053 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.957806 155.7
[M+Na]+ 335.939748 169.7
[M-H]- 311.943254 162.0
[M+NH4]+ 330.984353 175.3
[M+K]+ 351.913688 157.0
[M+H-H2O]+ 295.947790 155.9
[M+HCOO]- 357.948731 170.7
[M+CH3COO]- 371.964381 200.3
[M+Na-2H]- 333.925196 162.9
[M]+ 312.94998142 179.0
[M]- 312.95107858 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