CID 22673275

Fipronil desulfinyl

Structural Information

Molecular Formula
C12H4Cl2F6N4
SMILES
C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)C(F)(F)F)N)Cl)C(F)(F)F
InChI
InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2
InChIKey
JWKXVHLIRTVXLD-UHFFFAOYSA-N
Compound name
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

109
Patents

387.9717 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.97898 171.5
[M+Na]+ 410.96092 185.4
[M-H]- 386.96442 167.3
[M+NH4]+ 406.00552 182.0
[M+K]+ 426.93486 177.5
[M+H-H2O]+ 370.96896 153.9
[M+HCOO]- 432.96990 173.8
[M+CH3COO]- 446.98555 225.8
[M+Na-2H]- 408.94637 170.2
[M]+ 387.97115 162.2
[M]- 387.97225 162.2
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.