Fluazuron (C20H10Cl2F5N3O3)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)F

InChI

InChI=1S/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)

InChIKey

YOWNVPAUWYHLQX-UHFFFAOYSA-N

Compound name

N-[[4-chloro-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2,6-difluorobenzamide

Related CIDs

2D Structure

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]+	506.009196	205.4
[M+Na]+	527.991138	216.0
[M-H]-	503.994644	207.8
[M+NH4]+	523.035743	211.9
[M+K]+	543.965078	208.0
[M+H-H2O]+	487.999180	192.5
[M+HCOO]-	550.000121	212.5
[M+CH3COO]-	564.015771	240.5
[M+Na-2H]-	525.976586	204.5
[M]+	505.00137142	205.6
[M]-	505.00246858	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.009196

205.4

[M+Na]+

527.991138

216.0

[M-H]-

503.994644

207.8

[M+NH4]+

523.035743

211.9

[M+K]+

543.965078

208.0

[M+H-H2O]+

487.999180

192.5

[M+HCOO]-

550.000121

212.5

[M+CH3COO]-

564.015771

240.5

[M+Na-2H]-

525.976586

204.5

[M]+

505.00137142

205.6

[M]-

505.00246858

205.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fluazuron

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe