CID 78663

N,n'-ethylidenebis(2-bromoacetamide)

Structural Information

Molecular Formula

C₆H₁₀Br₂N₂O₂

SMILES

CC(NC(=O)CBr)NC(=O)CBr

InChI

InChI=1S/C6H10Br2N2O2/c1-4(9-5(11)2-7)10-6(12)3-8/h4H,2-3H2,1H3,(H,9,11)(H,10,12)

InChIKey

LXQOYTPYCRHHCB-UHFFFAOYSA-N

Compound name

2-bromo-N-[1-[(2-bromoacetyl)amino]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 299.9109 Da
Monoisotopic Mass: 1.0
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]+	300.918176	145.7
[M+Na]+	322.900118	153.6
[M-H]-	298.903624	149.0
[M+NH4]+	317.944723	163.4
[M+K]+	338.874058	137.6
[M+H-H2O]+	282.908160	150.7
[M+HCOO]-	344.909101	160.9
[M+CH3COO]-	358.924751	206.7
[M+Na-2H]-	320.885566	149.9
[M]+	299.91035142	177.6
[M]-	299.91144858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe