CID 551927

3-(3,5-dichlorophenyl)-1,1-dimethylurea

Structural Information

Molecular Formula

C₉H₁₀Cl₂N₂O

SMILES

CN(C)C(=O)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-8-4-6(10)3-7(11)5-8/h3-5H,1-2H3,(H,12,14)

InChIKey

NAOCHJCREOAPOF-UHFFFAOYSA-N

Compound name

3-(3,5-dichlorophenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 232.01701 Da
Monoisotopic Mass: 3.1
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]+	233.02429	146.9
[M+Na]+	255.00623	159.8
[M+NH4]+	250.05083	155.6
[M+K]+	270.98017	153.0
[M-H]-	231.00973	150.0
[M+Na-2H]-	252.99168	153.8
[M]+	232.01646	150.1
[M]-	232.01756	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe