CID 22616025

N-(2-bromoacetyl)acetamide

Structural Information

Molecular Formula

C₄H₆BrNO₂

SMILES

CC(=O)NC(=O)CBr

InChI

InChI=1S/C4H6BrNO2/c1-3(7)6-4(8)2-5/h2H2,1H3,(H,6,7,8)

InChIKey

OWHMEXFXNKBTMM-UHFFFAOYSA-N

Compound name

N-acetyl-2-bromoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 178.95819 Da
Monoisotopic Mass: 0.1
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]+	179.96547	128.0
[M+Na]+	201.94741	138.7
[M-H]-	177.95091	131.3
[M+NH4]+	196.99201	151.1
[M+K]+	217.92135	129.2
[M+H-H2O]+	161.95545	128.1
[M+HCOO]-	223.95639	149.7
[M+CH3COO]-	237.97204	179.2
[M+Na-2H]-	199.93286	134.8
[M]+	178.95764	145.9
[M]-	178.95874	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe