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

39
Patents

453.94928 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.956556 183.7
[M+Na]+ 476.938498 195.7
[M-H]- 452.942004 181.0
[M+NH4]+ 471.983103 193.3
[M+K]+ 492.912438 187.9
[M+H-H2O]+ 436.946540 173.6
[M+HCOO]- 498.947481 182.7
[M+CH3COO]- 512.963131 228.5
[M+Na-2H]- 474.923946 179.1
[M]+ 453.94873142 181.0
[M]- 453.94982858 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

literature stripe

Patent stripe

patents stripe