PubChemLite - Fluorocyphenothrin (C22H19F2NO3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H19F2NO3/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-/m1/s1

InChIKey

FWHRNWVIAOTDRA-IMBCPYESSA-N

Compound name

[cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-(2,2-difluoroethenyl)-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]+	384.14058	182.3
[M+Na]+	406.12252	196.9
[M-H]-	382.12602	190.0
[M+NH4]+	401.16712	191.8
[M+K]+	422.09646	187.6
[M+H-H2O]+	366.13056	169.9
[M+HCOO]-	428.13150	199.0
[M+CH3COO]-	442.14715	229.0
[M+Na-2H]-	404.10797	182.9
[M]+	383.13275	181.9
[M]-	383.13385	181.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

384.14058

182.3

[M+Na]+

406.12252

196.9

[M-H]-

382.12602

190.0

[M+NH4]+

401.16712

191.8

[M+K]+

422.09646

187.6

[M+H-H2O]+

366.13056

169.9

[M+HCOO]-

428.13150

199.0

[M+CH3COO]-

442.14715

229.0

[M+Na-2H]-

404.10797

182.9

[M]+

383.13275

181.9

[M]-

383.13385

181.9

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

Fluorocyphenothrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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