CID 11388558

Penthiopyrad

Structural Information

Molecular Formula
C16H20F3N3OS
SMILES
CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
InChI
InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)
InChIKey
PFFIDZXUXFLSSR-UHFFFAOYSA-N
Compound name
1-methyl-N-[2-(4-methylpentan-2-yl)thiophen-3-yl]-3-(trifluoromethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

41
References

32283
Patents

359.12793 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13521 180.4
[M+Na]+ 382.11715 189.1
[M-H]- 358.12065 182.3
[M+NH4]+ 377.16175 195.0
[M+K]+ 398.09109 185.0
[M+H-H2O]+ 342.12519 170.9
[M+HCOO]- 404.12613 193.2
[M+CH3COO]- 418.14178 215.8
[M+Na-2H]- 380.10260 175.2
[M]+ 359.12738 182.4
[M]- 359.12848 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.