CID 45599545

3,8-dibromo-4-hydroxyquinoline

Structural Information

Molecular Formula
C9H5Br2NO
SMILES
C1=CC2=C(C(=C1)Br)NC=C(C2=O)Br
InChI
InChI=1S/C9H5Br2NO/c10-6-3-1-2-5-8(6)12-4-7(11)9(5)13/h1-4H,(H,12,13)
InChIKey
GEOSMWHTWPLBPB-UHFFFAOYSA-N
Compound name
3,8-dibromo-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.87378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.88106 145.6
[M+Na]+ 323.86300 142.1
[M+NH4]+ 318.90760 147.9
[M+K]+ 339.83694 148.0
[M-H]- 299.86650 146.5
[M+Na-2H]- 321.84845 147.7
[M]+ 300.87323 144.3
[M]- 300.87433 144.3
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.