PubChemLite - Flumethrin (C28H22Cl2FNO3)

Structural Information

Molecular Formula

SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C4=CC=C(C=C4)Cl)\Cl)C

InChI

InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3/b22-15-

InChIKey

YXWCBRDRVXHABN-JCMHNJIXSA-N

Compound name

[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-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]+	510.10335	204.4
[M+Na]+	532.08529	220.4
[M-H]-	508.08879	214.3
[M+NH4]+	527.12989	210.7
[M+K]+	548.05923	207.6
[M+H-H2O]+	492.09333	193.1
[M+HCOO]-	554.09427	213.4
[M+CH3COO]-	568.10992	246.0
[M+Na-2H]-	530.07074	203.0
[M]+	509.09552	208.6
[M]-	509.09662	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.10335

204.4

[M+Na]+

532.08529

220.4

[M-H]-

508.08879

214.3

[M+NH4]+

527.12989

210.7

[M+K]+

548.05923

207.6

[M+H-H2O]+

492.09333

193.1

[M+HCOO]-

554.09427

213.4

[M+CH3COO]-

568.10992

246.0

[M+Na-2H]-

530.07074

203.0

[M]+

509.09552

208.6

[M]-

509.09662

208.6

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

Flumethrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe