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: 15390
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]+	259.007676	147.2
[M+Na]+	280.989618	156.8
[M-H]-	256.993124	154.7
[M+NH4]+	276.034223	167.6
[M+K]+	296.963558	147.4
[M+H-H2O]+	240.997660	145.4
[M+HCOO]-	302.998601	171.0
[M+CH3COO]-	317.014251	197.9
[M+Na-2H]-	278.975066	154.0
[M]+	257.99985142	166.8
[M]-	258.00094858	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe