CID 139594627

Buprofezin metabolite bf9

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CC(C)(C)N1C(=O)N(CSC1=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2S/c1-13(2,3)15-11(16)14(9-18-12(15)17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
CUSYNDOKOBQAGA-UHFFFAOYSA-N
Compound name
3-tert-butyl-5-phenyl-1,3,5-thiadiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 160.4
[M+Na]+ 287.08248 168.3
[M-H]- 263.08598 164.4
[M+NH4]+ 282.12708 175.1
[M+K]+ 303.05642 164.3
[M+H-H2O]+ 247.09052 152.7
[M+HCOO]- 309.09146 172.4
[M+CH3COO]- 323.10711 194.7
[M+Na-2H]- 285.06793 161.7
[M]+ 264.09271 160.1
[M]- 264.09381 160.1
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.