CID 94439

32718-18-6

Structural Information

Molecular Formula

C₅H₆BrClN₂O₂

SMILES

C(C1(C(=O)NC(=O)N1)CBr)Cl

InChI

InChI=1S/C5H6BrClN2O2/c6-1-5(2-7)3(10)8-4(11)9-5/h1-2H2,(H2,8,9,10,11)

InChIKey

BUUDGFAFKIZPSR-UHFFFAOYSA-N

Compound name

5-(bromomethyl)-5-(chloromethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 36
Patents: 239.93011 Da
Monoisotopic Mass: 0.2
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]+	240.93739	136.9
[M+Na]+	262.91933	150.3
[M-H]-	238.92283	138.4
[M+NH4]+	257.96393	158.9
[M+K]+	278.89327	137.0
[M+H-H2O]+	222.92737	138.5
[M+HCOO]-	284.92831	149.4
[M+CH3COO]-	298.94396	179.1
[M+Na-2H]-	260.90478	142.7
[M]+	239.92956	153.4
[M]-	239.93066	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe