Trifloxystrobin (C20H19F3N2O4)

Structural Information

Molecular Formula

SMILES

C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)/C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+

InChIKey

ONCZDRURRATYFI-TVJDWZFNSA-N

Compound name

methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate

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]+	409.136976	193.8
[M+Na]+	431.118918	199.1
[M-H]-	407.122424	198.7
[M+NH4]+	426.163523	204.6
[M+K]+	447.092858	197.1
[M+H-H2O]+	391.126960	181.6
[M+HCOO]-	453.127901	214.7
[M+CH3COO]-	467.143551	231.3
[M+Na-2H]-	429.104366	194.6
[M]+	408.12915142	195.5
[M]-	408.13024858	195.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.136976

193.8

[M+Na]+

431.118918

199.1

[M-H]-

407.122424

198.7

[M+NH4]+

426.163523

204.6

[M+K]+

447.092858

197.1

[M+H-H2O]+

391.126960

181.6

[M+HCOO]-

453.127901

214.7

[M+CH3COO]-

467.143551

231.3

[M+Na-2H]-

429.104366

194.6

[M]+

408.12915142

195.5

[M]-

408.13024858

195.5

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

Trifloxystrobin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe