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

85
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

literature stripe

Patent stripe

patents stripe