CID 16095400

Fluxapyroxad

Structural Information

Molecular Formula
C18H12F5N3O
SMILES
CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C18H12F5N3O/c1-26-8-11(16(25-26)17(22)23)18(27)24-14-5-3-2-4-10(14)9-6-12(19)15(21)13(20)7-9/h2-8,17H,1H3,(H,24,27)
InChIKey
SXSGXWCSHSVPGB-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-1-methyl-N-[2-(3,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

51
References

15439
Patents

381.09006 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09734 183.3
[M+Na]+ 404.07928 194.0
[M-H]- 380.08278 185.4
[M+NH4]+ 399.12388 194.1
[M+K]+ 420.05322 186.8
[M+H-H2O]+ 364.08732 169.4
[M+HCOO]- 426.08826 199.7
[M+CH3COO]- 440.10391 222.8
[M+Na-2H]- 402.06473 179.8
[M]+ 381.08951 178.9
[M]- 381.09061 178.9
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.