CID 9933690

Fipronil amide

Structural Information

Molecular Formula
C12H6Cl2F6N4O2S
SMILES
C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
InChI
InChI=1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)
InChIKey
OPPWTDFHAFPGOT-UHFFFAOYSA-N
Compound name
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

37
Patents

453.94928 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.95656 183.7
[M+Na]+ 476.93850 195.7
[M-H]- 452.94200 181.0
[M+NH4]+ 471.98310 193.3
[M+K]+ 492.91244 187.9
[M+H-H2O]+ 436.94654 173.6
[M+HCOO]- 498.94748 182.7
[M+CH3COO]- 512.96313 228.5
[M+Na-2H]- 474.92395 179.1
[M]+ 453.94873 181.0
[M]- 453.94983 181.0
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.