CID 69200

614-83-5

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

CC1=CC(=C(C=C1)NC(=O)C)Br

InChI

InChI=1S/C9H10BrNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12)

InChIKey

UUDGTWKIIUEVJD-UHFFFAOYSA-N

Compound name

N-(2-bromo-4-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 53
Patents: 226.99458 Da
Monoisotopic Mass: 1.8
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	140.2
[M+Na]+	249.98380	151.7
[M-H]-	225.98730	146.9
[M+NH4]+	245.02840	162.0
[M+K]+	265.95774	140.7
[M+H-H2O]+	209.99184	140.0
[M+HCOO]-	271.99278	162.5
[M+CH3COO]-	286.00843	189.8
[M+Na-2H]-	247.96925	147.0
[M]+	226.99403	158.6
[M]-	226.99513	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe