CID 886844

65673-88-3

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CC1=C(C(=O)C2=CC=CC=C2N1)Br

InChI

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

InChIKey

RPUCDXLAFUWPHF-UHFFFAOYSA-N

Compound name

3-bromo-2-methyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 15
Patents: 236.97893 Da
Monoisotopic Mass: 2.8
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	140.0
[M+Na]+	259.96815	153.8
[M-H]-	235.97165	145.4
[M+NH4]+	255.01275	161.1
[M+K]+	275.94209	141.4
[M+H-H2O]+	219.97619	140.3
[M+HCOO]-	281.97713	159.4
[M+CH3COO]-	295.99278	155.4
[M+Na-2H]-	257.95360	149.2
[M]+	236.97838	158.3
[M]-	236.97948	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe