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
3
Annotation Hits

0
References

0
Patents

267.1293 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13658 163.1
[M+Na]+ 290.11852 173.6
[M+NH4]+ 285.16312 171.2
[M+K]+ 306.09246 167.3
[M-H]- 266.12202 165.5
[M+Na-2H]- 288.10397 164.5
[M]+ 267.12875 165.7
[M]- 267.12985 165.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.