CID 10082478

1-(2-amino-5-bromophenyl)propan-1-one

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

CCC(=O)C1=C(C=CC(=C1)Br)N

InChI

InChI=1S/C9H10BrNO/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3

InChIKey

QGGYMYVVGFZOCT-UHFFFAOYSA-N

Compound name

1-(2-amino-5-bromophenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 226.99458 Da
Monoisotopic Mass: 2.6
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	140.1
[M+Na]+	249.98380	143.0
[M+NH4]+	245.02840	144.9
[M+K]+	265.95774	143.3
[M-H]-	225.98730	141.1
[M+Na-2H]-	247.96925	143.4
[M]+	226.99403	139.5
[M]-	226.99513	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe