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

15595
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

literature stripe

Patent stripe

patents stripe