CID 268296

4876-10-2

Structural Information

Molecular Formula

C₁₀H₈BrNO

SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CBr

InChI

InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6H2,(H,12,13)

InChIKey

BBAHJCUCNVVEQU-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 236.97893 Da
Monoisotopic Mass: 1.4
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	140.3
[M+Na]+	259.96815	145.7
[M+NH4]+	255.01275	145.7
[M+K]+	275.94209	144.4
[M-H]-	235.97165	141.2
[M+Na-2H]-	257.95360	144.8
[M]+	236.97838	140.2
[M]-	236.97948	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe