CID 34495

2-bromo-n-methyl-n-phenylacetamide

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

CN(C1=CC=CC=C1)C(=O)CBr

InChI

InChI=1S/C9H10BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

YLDILLQKQASWBA-UHFFFAOYSA-N

Compound name

2-bromo-N-methyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 266
Patents: 226.99458 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]+	228.001856	141.3
[M+Na]+	249.983798	151.2
[M-H]-	225.987304	148.7
[M+NH4]+	245.028403	163.1
[M+K]+	265.957738	141.6
[M+H-H2O]+	209.991840	140.7
[M+HCOO]-	271.992781	164.1
[M+CH3COO]-	286.008431	191.0
[M+Na-2H]-	247.969246	148.7
[M]+	226.99403142	160.2
[M]-	226.99512858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe