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

3
Annotation Hits: 9
References: 207
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]+	237.986206	141.2
[M+Na]+	259.968148	154.7
[M-H]-	235.971654	146.6
[M+NH4]+	255.012753	162.3
[M+K]+	275.942088	142.9
[M+H-H2O]+	219.976190	141.4
[M+HCOO]-	281.977131	160.4
[M+CH3COO]-	295.992781	156.5
[M+Na-2H]-	257.953596	150.4
[M]+	236.97838142	160.1
[M]-	236.97947858	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe