CID 69025

2,2-dibromoacetamide

Structural Information

Molecular Formula

C₂H₃Br₂NO

SMILES

C(C(=O)N)(Br)Br

InChI

InChI=1S/C2H3Br2NO/c3-1(4)2(5)6/h1H,(H2,5,6)

InChIKey

YUIKPESWSMJSMP-UHFFFAOYSA-N

Compound name

2,2-dibromoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 167
Patents: 214.85814 Da
Monoisotopic Mass: 0.8
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]+	215.865416	125.4
[M+Na]+	237.847358	135.7
[M-H]-	213.850864	129.2
[M+NH4]+	232.891963	146.2
[M+K]+	253.821298	120.5
[M+H-H2O]+	197.855400	132.5
[M+HCOO]-	259.856341	141.1
[M+CH3COO]-	273.871991	192.9
[M+Na-2H]-	235.832806	131.8
[M]+	214.85759142	156.5
[M]-	214.85868858	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe