CID 107741

P-bromophenylacetylurea

Structural Information

Molecular Formula

C₉H₉BrN₂O₂

SMILES

C1=CC(=CC=C1CC(=O)NC(=O)N)Br

InChI

InChI=1S/C9H9BrN2O2/c10-7-3-1-6(2-4-7)5-8(13)12-9(11)14/h1-4H,5H2,(H3,11,12,13,14)

InChIKey

ICQRYPIUHBIXIF-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-N-carbamoylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 23
References: 0
Patents: 255.98474 Da
Monoisotopic Mass: 1.6
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]+	256.992016	147.3
[M+Na]+	278.973958	156.7
[M-H]-	254.977464	152.9
[M+NH4]+	274.018563	166.6
[M+K]+	294.947898	145.4
[M+H-H2O]+	238.982000	145.6
[M+HCOO]-	300.982941	169.2
[M+CH3COO]-	314.998591	194.1
[M+Na-2H]-	276.959406	152.5
[M]+	255.98419142	163.4
[M]-	255.98528858	163.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.