CID 93379

Forchlorfenuron

Structural Information

Molecular Formula

C₁₂H₁₀ClN₃O

SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl

InChI

InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)

InChIKey

GPXLRLUVLMHHIK-UHFFFAOYSA-N

Compound name

1-(2-chloropyridin-4-yl)-3-phenylurea

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 106
References: 10335
Patents: 247.05124 Da
Monoisotopic Mass: 2.4
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]+	248.05852	153.1
[M+Na]+	270.04046	167.1
[M+NH4]+	265.08506	161.5
[M+K]+	286.01440	159.3
[M-H]-	246.04396	158.0
[M+Na-2H]-	268.02591	163.1
[M]+	247.05069	156.6
[M]-	247.05179	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe