CID 31335

126-06-7

Structural Information

Molecular Formula

C₅H₆BrClN₂O₂

SMILES

CC1(C(=O)N(C(=O)N1Cl)Br)C

InChI

InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3

InChIKey

PQRDTUFVDILINV-UHFFFAOYSA-N

Compound name

3-bromo-1-chloro-5,5-dimethylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 3133
Patents: 239.93011 Da
Monoisotopic Mass: 1.3
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]+	240.93739	132.3
[M+Na]+	262.91933	148.4
[M-H]-	238.92283	137.2
[M+NH4]+	257.96393	156.3
[M+K]+	278.89327	136.8
[M+H-H2O]+	222.92737	134.3
[M+HCOO]-	284.92831	147.7
[M+CH3COO]-	298.94396	186.1
[M+Na-2H]-	260.90478	138.2
[M]+	239.92956	153.1
[M]-	239.93066	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.