CID 18870

Bromuron

Structural Information

Molecular Formula

C₉H₁₁BrN₂O

SMILES

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

InChI

InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChIKey

GSNZNZUNAJCHDO-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2252
Patents: 242.00548 Da
Monoisotopic Mass: 2.2
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]+	243.01276	143.2
[M+Na]+	264.99470	145.1
[M+NH4]+	260.03930	147.8
[M+K]+	280.96864	145.7
[M-H]-	240.99820	144.7
[M+Na-2H]-	262.98015	147.0
[M]+	242.00493	142.5
[M]-	242.00603	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe