CID 99937725

Bixafen-desmethyl

Structural Information

Molecular Formula
C17H10Cl2F3N3O
SMILES
C1=CC(=C(C=C1C2=C(C=CC(=C2)F)NC(=O)C3=C(NN=C3)C(F)F)Cl)Cl
InChI
InChI=1S/C17H10Cl2F3N3O/c18-12-3-1-8(5-13(12)19)10-6-9(20)2-4-14(10)24-17(26)11-7-23-25-15(11)16(21)22/h1-7,16H,(H,23,25)(H,24,26)
InChIKey
XTKWJIRAAGGZFP-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]-5-(difluoromethyl)-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

399.0153 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.02258 182.6
[M+Na]+ 422.00452 193.2
[M-H]- 398.00802 184.7
[M+NH4]+ 417.04912 193.2
[M+K]+ 437.97846 183.9
[M+H-H2O]+ 382.01256 171.6
[M+HCOO]- 444.01350 190.5
[M+CH3COO]- 458.02915 191.5
[M+Na-2H]- 419.98997 180.2
[M]+ 399.01475 181.8
[M]- 399.01585 181.8
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