CID 107575352

1929360-80-4

Structural Information

Molecular Formula
C14H13BrClNO2
SMILES
CCOC(=O)C1=CN=C2C=C(C(=C(C2=C1Cl)C)Br)C
InChI
InChI=1S/C14H13BrClNO2/c1-4-19-14(18)9-6-17-10-5-7(2)12(15)8(3)11(10)13(9)16/h5-6H,4H2,1-3H3
InChIKey
FKUFTOCSTKEFOB-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-4-chloro-5,7-dimethylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.9818 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.98908 164.1
[M+Na]+ 363.97102 178.8
[M-H]- 339.97452 170.7
[M+NH4]+ 359.01562 183.1
[M+K]+ 379.94496 165.8
[M+H-H2O]+ 323.97906 164.2
[M+HCOO]- 385.98000 178.4
[M+CH3COO]- 399.99565 208.1
[M+Na-2H]- 361.95647 168.9
[M]+ 340.98125 188.7
[M]- 340.98235 188.7
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.