CID 78322735

7-bromo-1-methyl-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

CN1C=CC(=O)C2=C1C=C(C=C2)Br

InChI

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

InChIKey

YMVHOUZSIDKIBQ-UHFFFAOYSA-N

Compound name

7-bromo-1-methylquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 236.97893 Da
Monoisotopic Mass: 1.1
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	139.0
[M+Na]+	259.96815	153.2
[M-H]-	235.97165	145.7
[M+NH4]+	255.01275	160.8
[M+K]+	275.94209	141.8
[M+H-H2O]+	219.97619	139.1
[M+HCOO]-	281.97713	159.8
[M+CH3COO]-	295.99278	189.2
[M+Na-2H]-	257.95360	148.7
[M]+	236.97838	159.0
[M]-	236.97948	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe