CID 285615

N-(3-bromophenyl)-3-oxobutanamide

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

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

InChI

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

InChIKey

RSQFOIHPOUSQTO-UHFFFAOYSA-N

Compound name

N-(3-bromophenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 254.98949 Da
Monoisotopic Mass: 2.7
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe