CID 598820

N-(4-bromophenyl)-3-oxobutanamide

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

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

InChI

InChI=1S/C10H10BrNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)

InChIKey

JIOJEVGOXBFZDM-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 254.98949 Da
Monoisotopic Mass: 2.2
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]+	255.99677	145.5
[M+Na]+	277.97871	147.5
[M+NH4]+	273.02331	149.5
[M+K]+	293.95265	148.3
[M-H]-	253.98221	145.7
[M+Na-2H]-	275.96416	148.4
[M]+	254.98894	144.5
[M]-	254.99004	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe