CID 9953940

Fipronil-sulfide

Structural Information

Molecular Formula
C12H4Cl2F6N4S
SMILES
C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)SC(F)(F)F)N)Cl)C(F)(F)F
InChI
InChI=1S/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2
InChIKey
FQXWEKADCSXYOC-UHFFFAOYSA-N
Compound name
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

425
Patents

419.9438 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.95108 180.2
[M+Na]+ 442.93302 186.3
[M+NH4]+ 437.97762 179.8
[M+K]+ 458.90696 179.4
[M-H]- 418.93652 169.3
[M+Na-2H]- 440.91847 179.1
[M]+ 419.94325 177.7
[M]- 419.94435 177.7
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

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