PubChemLite - Deltamethrin (C22H19Br2NO3)

Structural Information

Molecular Formula

SMILES

CC1([C@H]([C@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C

InChI

InChI=1S/C22H19Br2NO3/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/t17-,18+,20-/m0/s1

InChIKey

OWZREIFADZCYQD-NSHGMRRFSA-N

Compound name

[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-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]+	503.98046	172.2
[M+Na]+	525.96240	169.6
[M+NH4]+	521.00700	172.9
[M+K]+	541.93634	172.7
[M-H]-	501.96590	173.6
[M+Na-2H]-	523.94785	174.9
[M]+	502.97263	171.6
[M]-	502.97373	171.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.98046

172.2

[M+Na]+

525.96240

169.6

[M+NH4]+

521.00700

172.9

[M+K]+

541.93634

172.7

[M-H]-

501.96590

173.6

[M+Na-2H]-

523.94785

174.9

[M]+

502.97263

171.6

[M]-

502.97373

171.6

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

Deltamethrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe