CID 18432

Phenobenzuron

Structural Information

Molecular Formula

C₁₆H₁₄Cl₂N₂O₂

SMILES

CN(C)C(=O)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14Cl2N2O2/c1-19(2)16(22)20(12-8-9-13(17)14(18)10-12)15(21)11-6-4-3-5-7-11/h3-10H,1-2H3

InChIKey

QQXXYTVEGCOZRF-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)-N-(dimethylcarbamoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5392
Patents: 336.04324 Da
Monoisotopic Mass: 4.0
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]+	337.05052	174.2
[M+Na]+	359.03246	181.8
[M-H]-	335.03596	183.1
[M+NH4]+	354.07706	189.9
[M+K]+	375.00640	178.0
[M+H-H2O]+	319.04050	167.5
[M+HCOO]-	381.04144	190.4
[M+CH3COO]-	395.05709	216.9
[M+Na-2H]-	357.01791	175.5
[M]+	336.04269	179.9
[M]-	336.04379	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe