CID 65592

Tilbroquinol

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CC1=CC(=C(C2=C1C=CC=N2)O)Br

InChI

InChI=1S/C10H8BrNO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9/h2-5,13H,1H3

InChIKey

JMOVFFLYGIQXMM-UHFFFAOYSA-N

Compound name

7-bromo-5-methylquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 226
Patents: 236.97893 Da
Monoisotopic Mass: 3.1
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]+	237.98621	140.7
[M+Na]+	259.96815	146.4
[M+NH4]+	255.01275	146.5
[M+K]+	275.94209	145.5
[M-H]-	235.97165	141.9
[M+Na-2H]-	257.95360	145.2
[M]+	236.97838	140.8
[M]-	236.97948	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe