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

8
Annotation Hits: 29
References: 13917
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	147.2
[M+Na]+	280.98962	156.8
[M-H]-	256.99312	154.7
[M+NH4]+	276.03422	167.6
[M+K]+	296.96356	147.4
[M+H-H2O]+	240.99766	145.4
[M+HCOO]-	302.99860	171.0
[M+CH3COO]-	317.01425	197.9
[M+Na-2H]-	278.97507	154.0
[M]+	257.99985	166.8
[M]-	258.00095	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe