CID 54793350

N-(3-acetylphenyl)-2-bromoacetamide

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₂

SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CBr

InChI

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

InChIKey

VQKPIBXNDMSXOU-UHFFFAOYSA-N

Compound name

N-(3-acetylphenyl)-2-bromoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.98949 Da
Monoisotopic Mass: 1.9
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]+	255.996766	147.2
[M+Na]+	277.978708	157.2
[M-H]-	253.982214	153.3
[M+NH4]+	273.023313	167.3
[M+K]+	293.952648	146.3
[M+H-H2O]+	237.986750	146.4
[M+HCOO]-	299.987691	168.6
[M+CH3COO]-	314.003341	193.4
[M+Na-2H]-	275.964156	152.8
[M]+	254.98894142	165.6
[M]-	254.99003858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.