CID 141027

23373-04-8

Structural Information

Molecular Formula

C₈H₇Br₂NO

SMILES

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

InChI

InChI=1S/C8H7Br2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)

InChIKey

AIDNLFKPDZOXHF-UHFFFAOYSA-N

Compound name

N-(2,4-dibromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 290.88943 Da
Monoisotopic Mass: 2.1
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]+	291.89671	146.1
[M+Na]+	313.87865	141.1
[M+NH4]+	308.92325	148.1
[M+K]+	329.85259	147.6
[M-H]-	289.88215	147.1
[M+Na-2H]-	311.86410	147.9
[M]+	290.88888	144.5
[M]-	290.88998	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe