CID 16562

Fluometuron

Structural Information

Molecular Formula

C₁₀H₁₁F₃N₂O

SMILES

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

InChI

InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)

InChIKey

RZILCCPWPBTYDO-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 51
References: 26773
Patents: 232.08235 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]+	233.08963	147.1
[M+Na]+	255.07157	154.2
[M-H]-	231.07507	148.4
[M+NH4]+	250.11617	165.2
[M+K]+	271.04551	152.9
[M+H-H2O]+	215.07961	138.2
[M+HCOO]-	277.08055	168.5
[M+CH3COO]-	291.09620	197.3
[M+Na-2H]-	253.05702	151.5
[M]+	232.08180	143.2
[M]-	232.08290	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe