PubChemLite - Cypermethrin (C22H19Cl2NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3

InChIKey

KAATUXNTWXVJKI-UHFFFAOYSA-N

Compound name

[cyano-(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]+	416.08148	184.7
[M+Na]+	438.06342	200.5
[M-H]-	414.06692	194.2
[M+NH4]+	433.10802	194.7
[M+K]+	454.03736	189.3
[M+H-H2O]+	398.07146	175.7
[M+HCOO]-	460.07240	195.4
[M+CH3COO]-	474.08805	230.7
[M+Na-2H]-	436.04887	185.8
[M]+	415.07365	189.6
[M]-	415.07475	189.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.08148

184.7

[M+Na]+

438.06342

200.5

[M-H]-

414.06692

194.2

[M+NH4]+

433.10802

194.7

[M+K]+

454.03736

189.3

[M+H-H2O]+

398.07146

175.7

[M+HCOO]-

460.07240

195.4

[M+CH3COO]-

474.08805

230.7

[M+Na-2H]-

436.04887

185.8

[M]+

415.07365

189.6

[M]-

415.07475

189.6

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

Cypermethrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe