CID 139595494

Clethodim oxazole sulfoxide

Structural Information

Molecular Formula
C14H21NO3S
SMILES
CCC1=NC2=C(O1)CC(CC2=O)CC(C)S(=O)CC
InChI
InChI=1S/C14H21NO3S/c1-4-13-15-14-11(16)7-10(8-12(14)18-13)6-9(3)19(17)5-2/h9-10H,4-8H2,1-3H3
InChIKey
IVZPFBARUICXDR-UHFFFAOYSA-N
Compound name
2-ethyl-6-(2-ethylsulfinylpropyl)-6,7-dihydro-5H-1,3-benzoxazol-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

283.1242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13148 165.2
[M+Na]+ 306.11342 172.5
[M-H]- 282.11692 168.8
[M+NH4]+ 301.15802 182.2
[M+K]+ 322.08736 170.8
[M+H-H2O]+ 266.12146 159.5
[M+HCOO]- 328.12240 177.5
[M+CH3COO]- 342.13805 200.6
[M+Na-2H]- 304.09887 163.3
[M]+ 283.12365 169.9
[M]- 283.12475 169.9
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.