CID 384173

Nsc673464

Structural Information

Molecular Formula

C₉H₅Br₂NO

SMILES

C1=C2C=C(C=NC2=C(C=C1Br)O)Br

InChI

InChI=1S/C9H5Br2NO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H

InChIKey

IKRBVJIHPNQEHU-UHFFFAOYSA-N

Compound name

3,6-dibromoquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.87378 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	301.88106	138.0
[M+Na]+	323.86300	150.0
[M-H]-	299.86650	143.9
[M+NH4]+	318.90760	156.7
[M+K]+	339.83694	134.7
[M+H-H2O]+	283.87104	146.5
[M+HCOO]-	345.87198	152.6
[M+CH3COO]-	359.88763	152.4
[M+Na-2H]-	321.84845	147.1
[M]+	300.87323	172.0
[M]-	300.87433	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.