CID 346184

N-(4-bromophenyl)propionamide

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

CCC(=O)NC1=CC=C(C=C1)Br

InChI

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

InChIKey

OKCYFRFBRDYTRP-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 64
Patents: 226.99458 Da
Monoisotopic Mass: 2.3
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	140.2
[M+Na]+	249.98380	143.1
[M+NH4]+	245.02840	145.2
[M+K]+	265.95774	143.0
[M-H]-	225.98730	141.3
[M+Na-2H]-	247.96925	144.2
[M]+	226.99403	139.7
[M]-	226.99513	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe