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

33091
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

literature stripe

Patent stripe

patents stripe