PubChemLite - Momfluorothrin (C19H19F4NO3)

Structural Information

Molecular Formula

SMILES

CC(=CC1C(C1(C)C)C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C#N

InChI

InChI=1S/C19H19F4NO3/c1-9(6-24)5-12-13(19(12,2)3)18(25)27-8-11-16(22)14(20)10(7-26-4)15(21)17(11)23/h5,12-13H,7-8H2,1-4H3

InChIKey

DPJITPZADZSLBP-UHFFFAOYSA-N

Compound name

[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 3-(2-cyanoprop-1-enyl)-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]+	386.13738	166.6
[M+Na]+	408.11932	183.6
[M-H]-	384.12282	171.0
[M+NH4]+	403.16392	177.4
[M+K]+	424.09326	175.3
[M+H-H2O]+	368.12736	154.8
[M+HCOO]-	430.12830	181.8
[M+CH3COO]-	444.14395	233.2
[M+Na-2H]-	406.10477	165.4
[M]+	385.12955	167.6
[M]-	385.13065	167.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

386.13738

166.6

[M+Na]+

408.11932

183.6

[M-H]-

384.12282

171.0

[M+NH4]+

403.16392

177.4

[M+K]+

424.09326

175.3

[M+H-H2O]+

368.12736

154.8

[M+HCOO]-

430.12830

181.8

[M+CH3COO]-

444.14395

233.2

[M+Na-2H]-

406.10477

165.4

[M]+

385.12955

167.6

[M]-

385.13065

167.6

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

Momfluorothrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe