CID 155884394

Clethodim tp3

Structural Information

Molecular Formula
C15H23NO3S
SMILES
CCC1=NC2=C(O1)CC(CC2=C)CC(C)S(=O)(=O)CC
InChI
InChI=1S/C15H23NO3S/c1-5-14-16-15-10(3)7-12(9-13(15)19-14)8-11(4)20(17,18)6-2/h11-12H,3,5-9H2,1-2,4H3
InChIKey
BOBRFPQXYRPSBQ-UHFFFAOYSA-N
Compound name
2-ethyl-6-(2-ethylsulfonylpropyl)-4-methylidene-6,7-dihydro-5H-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

297.13986 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14714 169.4
[M+Na]+ 320.12908 177.2
[M-H]- 296.13258 173.1
[M+NH4]+ 315.17368 186.0
[M+K]+ 336.10302 174.7
[M+H-H2O]+ 280.13712 164.2
[M+HCOO]- 342.13806 181.1
[M+CH3COO]- 356.15371 202.3
[M+Na-2H]- 318.11453 169.1
[M]+ 297.13931 173.9
[M]- 297.14041 173.9
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.