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]+ 341.989076 164.1
[M+Na]+ 363.971018 178.8
[M-H]- 339.974524 170.7
[M+NH4]+ 359.015623 183.1
[M+K]+ 379.944958 165.8
[M+H-H2O]+ 323.979060 164.2
[M+HCOO]- 385.980001 178.4
[M+CH3COO]- 399.995651 208.1
[M+Na-2H]- 361.956466 168.9
[M]+ 340.98125142 188.7
[M]- 340.98234858 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.