CID 18290

Metobromuron

Structural Information

Molecular Formula

C₉H₁₁BrN₂O₂

SMILES

CN(C(=O)NC1=CC=C(C=C1)Br)OC

InChI

InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChIKey

WLFDQEVORAMCIM-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-1-methoxy-1-methylurea

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 29
References: 13066
Patents: 258.0004 Da
Monoisotopic Mass: 2.4
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]+	259.00768	146.4
[M+Na]+	280.98962	147.9
[M+NH4]+	276.03422	150.5
[M+K]+	296.96356	149.0
[M-H]-	256.99312	147.4
[M+Na-2H]-	278.97507	149.7
[M]+	257.99985	145.5
[M]-	258.00095	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe