PubChemLite - Cyfluthrin (C22H18Cl2FNO3)

Structural Information

Molecular Formula

SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C

InChI

InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3

InChIKey

QQODLKZGRKWIFG-UHFFFAOYSA-N

Compound name

[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

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]+	434.07208	183.2
[M+Na]+	456.05402	199.6
[M-H]-	432.05752	191.7
[M+NH4]+	451.09862	192.8
[M+K]+	472.02796	188.3
[M+H-H2O]+	416.06206	173.7
[M+HCOO]-	478.06300	193.1
[M+CH3COO]-	492.07865	233.9
[M+Na-2H]-	454.03947	183.6
[M]+	433.06425	187.7
[M]-	433.06535	187.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.07208

183.2

[M+Na]+

456.05402

199.6

[M-H]-

432.05752

191.7

[M+NH4]+

451.09862

192.8

[M+K]+

472.02796

188.3

[M+H-H2O]+

416.06206

173.7

[M+HCOO]-

478.06300

193.1

[M+CH3COO]-

492.07865

233.9

[M+Na-2H]-

454.03947

183.6

[M]+

433.06425

187.7

[M]-

433.06535

187.7

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

Cyfluthrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe