Fluoxastrobin (C21H16ClFN4O5)

Structural Information

Molecular Formula

SMILES

CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4

InChI

InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+

InChIKey

UFEODZBUAFNAEU-NLRVBDNBSA-N

Compound name

(E)-1-[2-[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxyphenyl]-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine

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]+	459.086576	206.3
[M+Na]+	481.068518	213.6
[M-H]-	457.072024	215.7
[M+NH4]+	476.113123	207.8
[M+K]+	497.042458	210.7
[M+H-H2O]+	441.076560	191.2
[M+HCOO]-	503.077501	218.3
[M+CH3COO]-	517.093151	214.1
[M+Na-2H]-	479.053966	210.0
[M]+	458.07875142	211.4
[M]-	458.07984858	211.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.086576

206.3

[M+Na]+

481.068518

213.6

[M-H]-

457.072024

215.7

[M+NH4]+

476.113123

207.8

[M+K]+

497.042458

210.7

[M+H-H2O]+

441.076560

191.2

[M+HCOO]-

503.077501

218.3

[M+CH3COO]-

517.093151

214.1

[M+Na-2H]-

479.053966

210.0

[M]+

458.07875142

211.4

[M]-

458.07984858

211.4

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

Fluoxastrobin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe