CID 15629

Monolinuron

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₂

SMILES

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

InChI

InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChIKey

LKJPSUCKSLORMF-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-1-methoxy-1-methylurea

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 43
References: 21477
Patents: 214.0509 Da
Monoisotopic Mass: 2.3
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]+	215.05818	143.7
[M+Na]+	237.04012	155.3
[M+NH4]+	232.08472	151.9
[M+K]+	253.01406	149.6
[M-H]-	213.04362	146.5
[M+Na-2H]-	235.02557	150.5
[M]+	214.05035	146.2
[M]-	214.05145	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe