CID 6433077

Fampronil

Structural Information

Molecular Formula
C16H6Cl3F3N6
SMILES
CC1=NN(C(=C1C2=NC(=C(N2)C#N)C#N)Cl)C3=C(C=C(C=C3Cl)C(F)(F)F)Cl
InChI
InChI=1S/C16H6Cl3F3N6/c1-6-12(15-25-10(4-23)11(5-24)26-15)14(19)28(27-6)13-8(17)2-7(3-9(13)18)16(20,21)22/h2-3H,1H3,(H,25,26)
InChIKey
CELMHGAYYAJMKD-UHFFFAOYSA-N
Compound name
2-[5-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-1H-imidazole-4,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

443.96716 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.974436 184.9
[M+Na]+ 466.956378 197.3
[M-H]- 442.959884 182.0
[M+NH4]+ 462.000983 189.5
[M+K]+ 482.930318 189.0
[M+H-H2O]+ 426.964420 164.8
[M+HCOO]- 488.965361 181.8
[M+CH3COO]- 502.981011 188.1
[M+Na-2H]- 464.941826 179.7
[M]+ 443.96661142 177.3
[M]- 443.96770858 177.3
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

patents stripe