CID 11674113

Penflufen

Structural Information

Molecular Formula
C18H24FN3O
SMILES
CC1=NN(C(=C1C(=O)NC2=CC=CC=C2C(C)CC(C)C)F)C
InChI
InChI=1S/C18H24FN3O/c1-11(2)10-12(3)14-8-6-7-9-15(14)20-18(23)16-13(4)21-22(5)17(16)19/h6-9,11-12H,10H2,1-5H3,(H,20,23)
InChIKey
GOFJDXZZHFNFLV-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

19151
Patents

317.19034 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19762 177.3
[M+Na]+ 340.17956 184.4
[M-H]- 316.18306 180.6
[M+NH4]+ 335.22416 191.1
[M+K]+ 356.15350 180.5
[M+H-H2O]+ 300.18760 167.8
[M+HCOO]- 362.18854 195.9
[M+CH3COO]- 376.20419 214.6
[M+Na-2H]- 338.16501 174.3
[M]+ 317.18979 178.3
[M]- 317.19089 178.3
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