CID 265437

Nsc101469

Structural Information

Molecular Formula

C₉H₇ClN₂O₂

SMILES

C1=CC(=CC(=C1)Cl)C2C(=O)NC(=O)N2

InChI

InChI=1S/C9H7ClN2O2/c10-6-3-1-2-5(4-6)7-8(13)12-9(14)11-7/h1-4,7H,(H2,11,12,13,14)

InChIKey

WPJLWWOKUOJTOU-UHFFFAOYSA-N

Compound name

5-(3-chlorophenyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 210.0196 Da
Monoisotopic Mass: 1.1
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]+	211.026876	142.6
[M+Na]+	233.008818	152.4
[M-H]-	209.012324	144.3
[M+NH4]+	228.053423	160.0
[M+K]+	248.982758	146.3
[M+H-H2O]+	193.016860	136.2
[M+HCOO]-	255.017801	157.0
[M+CH3COO]-	269.033451	177.6
[M+Na-2H]-	230.994266	145.1
[M]+	210.01905142	139.6
[M]-	210.02014858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe