CID 53404450

6-bromo-2,4-dichloroquinoline

Structural Information

Molecular Formula
C9H4BrCl2N
SMILES
C1=CC2=C(C=C1Br)C(=CC(=N2)Cl)Cl
InChI
InChI=1S/C9H4BrCl2N/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4H
InChIKey
CRFXLQFAIWSWIV-UHFFFAOYSA-N
Compound name
6-bromo-2,4-dichloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

274.8904 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.897676 141.8
[M+Na]+ 297.879618 157.8
[M-H]- 273.883124 147.7
[M+NH4]+ 292.924223 163.5
[M+K]+ 313.853558 143.6
[M+H-H2O]+ 257.887660 143.4
[M+HCOO]- 319.888601 153.3
[M+CH3COO]- 333.904251 157.4
[M+Na-2H]- 295.865066 151.1
[M]+ 274.88985142 163.5
[M]- 274.89094858 163.5
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