CID 302971

{[1,1'-biphenyl]-2-yl}urea

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)N

InChI

InChI=1S/C13H12N2O/c14-13(16)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H3,14,15,16)

InChIKey

HWLYIRABQGWLBV-UHFFFAOYSA-N

Compound name

(2-phenylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 212.09496 Da
Monoisotopic Mass: 1.4
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]+	213.10224	145.9
[M+Na]+	235.08418	152.3
[M-H]-	211.08768	152.3
[M+NH4]+	230.12878	163.4
[M+K]+	251.05812	148.6
[M+H-H2O]+	195.09222	138.4
[M+HCOO]-	257.09316	171.6
[M+CH3COO]-	271.10881	190.8
[M+Na-2H]-	233.06963	152.4
[M]+	212.09441	142.7
[M]-	212.09551	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe