CID 9881279

2-bromo-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

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

InChI

InChI=1S/C10H12BrNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChIKey

NIFSTJXZBDBHDF-UHFFFAOYSA-N

Compound name

2-bromo-N-(2-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 241.01022 Da
Monoisotopic Mass: 2.3
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]+	242.01750	145.4
[M+Na]+	263.99944	147.8
[M+NH4]+	259.04404	150.2
[M+K]+	279.97338	147.1
[M-H]-	240.00294	146.4
[M+Na-2H]-	261.98489	149.2
[M]+	241.00967	144.7
[M]-	241.01077	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe