CID 11434448

Bixafen

Structural Information

Molecular Formula
C18H12Cl2F3N3O
SMILES
CN1C=C(C(=N1)C(F)F)C(=O)NC2=C(C=C(C=C2)F)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)
InChIKey
LDLMOOXUCMHBMZ-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

17163
Patents

413.03094 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.038216 188.0
[M+Na]+ 436.020158 199.4
[M-H]- 412.023664 191.6
[M+NH4]+ 431.064763 199.0
[M+K]+ 451.994098 190.7
[M+H-H2O]+ 396.028200 176.6
[M+HCOO]- 458.029141 197.0
[M+CH3COO]- 472.044791 224.7
[M+Na-2H]- 434.005606 184.7
[M]+ 413.03039142 189.6
[M]- 413.03148858 189.6
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