CID 12226096

3-(2-bromophenyl)propanamide

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

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

InChI

InChI=1S/C9H10BrNO/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H2,11,12)

InChIKey

WDUFAWGXYGBILA-UHFFFAOYSA-N

Compound name

3-(2-bromophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 226.99458 Da
Monoisotopic Mass: 1.7
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	140.6
[M+Na]+	249.98380	143.2
[M+NH4]+	245.02840	145.4
[M+K]+	265.95774	143.2
[M-H]-	225.98730	141.5
[M+Na-2H]-	247.96925	144.1
[M]+	226.99403	139.9
[M]-	226.99513	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe