CID 56933411

Pydiflumetofen

Structural Information

Molecular Formula
C16H16Cl3F2N3O2
SMILES
CC(CC1=C(C=C(C=C1Cl)Cl)Cl)N(C(=O)C2=CN(N=C2C(F)F)C)OC
InChI
InChI=1S/C16H16Cl3F2N3O2/c1-8(4-10-12(18)5-9(17)6-13(10)19)24(26-3)16(25)11-7-23(2)22-14(11)15(20)21/h5-8,15H,4H2,1-3H3
InChIKey
DGOAXBPOVUPPEB-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

5561
Patents

425.02762 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.03490 186.3
[M+Na]+ 448.01684 195.9
[M-H]- 424.02034 188.2
[M+NH4]+ 443.06144 197.8
[M+K]+ 463.99078 190.4
[M+H-H2O]+ 408.02488 177.5
[M+HCOO]- 470.02582 190.3
[M+CH3COO]- 484.04147 229.4
[M+Na-2H]- 446.00229 180.9
[M]+ 425.02707 192.2
[M]- 425.02817 192.2
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