CID 7560

Fenuron

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

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

InChI

InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)

InChIKey

XXOYNJXVWVNOOJ-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 32
References: 21094
Patents: 164.09496 Da
Monoisotopic Mass: 1.0
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]+	165.10224	135.0
[M+Na]+	187.08418	141.0
[M-H]-	163.08768	140.1
[M+NH4]+	182.12878	155.6
[M+K]+	203.05812	140.8
[M+H-H2O]+	147.09222	128.4
[M+HCOO]-	209.09316	161.6
[M+CH3COO]-	223.10881	185.2
[M+Na-2H]-	185.06963	141.8
[M]+	164.09441	134.6
[M]-	164.09551	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe