PubChemLite - Clethodim (C17H26ClNO3S)

Structural Information

Molecular Formula

SMILES

CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC(C)SCC)O

InChI

InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+

InChIKey

SILSDTWXNBZOGF-KUZBFYBWSA-N

Compound name

2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one

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]+	360.13948	184.2
[M+Na]+	382.12142	188.6
[M-H]-	358.12492	186.6
[M+NH4]+	377.16602	198.3
[M+K]+	398.09536	183.1
[M+H-H2O]+	342.12946	178.3
[M+HCOO]-	404.13040	193.5
[M+CH3COO]-	418.14605	215.8
[M+Na-2H]-	380.10687	179.4
[M]+	359.13165	189.4
[M]-	359.13275	189.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

360.13948

184.2

[M+Na]+

382.12142

188.6

[M-H]-

358.12492

186.6

[M+NH4]+

377.16602

198.3

[M+K]+

398.09536

183.1

[M+H-H2O]+

342.12946

178.3

[M+HCOO]-

404.13040

193.5

[M+CH3COO]-

418.14605

215.8

[M+Na-2H]-

380.10687

179.4

[M]+

359.13165

189.4

[M]-

359.13275

189.4

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

Clethodim

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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