CID 132488599

Fluxapyroxad-n-desmethyl

Structural Information

Molecular Formula
C17H10F5N3O
SMILES
C1=CC=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)NC(=O)C3=C(NN=C3)C(F)F
InChI
InChI=1S/C17H10F5N3O/c18-11-5-8(6-12(19)14(11)20)9-3-1-2-4-13(9)24-17(26)10-7-23-25-15(10)16(21)22/h1-7,16H,(H,23,25)(H,24,26)
InChIKey
SYGSBKQBCWBROS-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-N-[2-(3,4,5-trifluorophenyl)phenyl]-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

367.0744 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08168 181.6
[M+Na]+ 390.06362 188.8
[M+NH4]+ 385.10822 183.7
[M+K]+ 406.03756 185.3
[M-H]- 366.06712 178.4
[M+Na-2H]- 388.04907 184.7
[M]+ 367.07385 181.2
[M]- 367.07495 181.2
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

patents stripe