CID 3326827

Clethodim oxazole

Structural Information

Molecular Formula

C₁₄H₂₁NO₂S

SMILES

CCC1=NC2=C(O1)CC(CC2=O)CC(C)SCC

InChI

InChI=1S/C14H21NO2S/c1-4-13-15-14-11(16)7-10(8-12(14)17-13)6-9(3)18-5-2/h9-10H,4-8H2,1-3H3

InChIKey

WHFXMHVIMZTIOR-UHFFFAOYSA-N

Compound name

2-ethyl-6-(2-ethylsulfanylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 267.1293 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

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]+	268.136576	162.3
[M+Na]+	290.118518	170.0
[M-H]-	266.122024	166.0
[M+NH4]+	285.163123	180.4
[M+K]+	306.092458	167.9
[M+H-H2O]+	250.126560	156.6
[M+HCOO]-	312.127501	175.4
[M+CH3COO]-	326.143151	198.3
[M+Na-2H]-	288.103966	161.3
[M]+	267.12875142	167.0
[M]-	267.12984858	167.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.