CID 13463810

54968-03-5

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1CCC2=C(C1)C=C(C(=O)N2)Br

InChI

InChI=1S/C9H10BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h5H,1-4H2,(H,11,12)

InChIKey

UTAVWZJIPPDSAU-UHFFFAOYSA-N

Compound name

3-bromo-5,6,7,8-tetrahydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 226.99458 Da
Monoisotopic Mass: 1.9
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]+	228.00186	139.6
[M+Na]+	249.98380	151.0
[M-H]-	225.98730	144.1
[M+NH4]+	245.02840	160.6
[M+K]+	265.95774	139.2
[M+H-H2O]+	209.99184	139.9
[M+HCOO]-	271.99278	156.6
[M+CH3COO]-	286.00843	154.0
[M+Na-2H]-	247.96925	148.0
[M]+	226.99403	154.5
[M]-	226.99513	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe