Fenvalerate (C25H22ClNO3)

Structural Information

Molecular Formula

SMILES

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3

InChIKey

NYPJDWWKZLNGGM-UHFFFAOYSA-N

Compound name

[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate

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]+	420.13608	205.7
[M+Na]+	442.11802	213.3
[M-H]-	418.12152	212.1
[M+NH4]+	437.16262	214.3
[M+K]+	458.09196	205.1
[M+H-H2O]+	402.12606	190.2
[M+HCOO]-	464.12700	216.8
[M+CH3COO]-	478.14265	233.1
[M+Na-2H]-	440.10347	203.0
[M]+	419.12825	204.1
[M]-	419.12935	204.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.13608

205.7

[M+Na]+

442.11802

213.3

[M-H]-

418.12152

212.1

[M+NH4]+

437.16262

214.3

[M+K]+

458.09196

205.1

[M+H-H2O]+

402.12606

190.2

[M+HCOO]-

464.12700

216.8

[M+CH3COO]-

478.14265

233.1

[M+Na-2H]-

440.10347

203.0

[M]+

419.12825

204.1

[M]-

419.12935

204.1

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

Fenvalerate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe