CID 91757

Dithiopyr

Structural Information

Molecular Formula
C15H16F5NO2S2
SMILES
CC(C)CC1=C(C(=NC(=C1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC
InChI
InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3
InChIKey
YUBJPYNSGLJZPQ-UHFFFAOYSA-N
Compound name
3-S,5-S-dimethyl 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarbothioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

26981
Patents

401.05426 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06154 177.1
[M+Na]+ 424.04348 184.5
[M-H]- 400.04698 172.5
[M+NH4]+ 419.08808 187.7
[M+K]+ 440.01742 178.8
[M+H-H2O]+ 384.05152 166.2
[M+HCOO]- 446.05246 177.2
[M+CH3COO]- 460.06811 222.0
[M+Na-2H]- 422.02893 169.6
[M]+ 401.05371 176.7
[M]- 401.05481 176.7
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

patents stripe