CID 9930667

Ethiprole

Structural Information

Molecular Formula
C13H9Cl2F3N4OS
SMILES
CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N
InChI
InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3
InChIKey
FNELVJVBIYMIMC-UHFFFAOYSA-N
Compound name
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

28956
Patents

395.98264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.98992 182.0
[M+Na]+ 418.97186 195.3
[M-H]- 394.97536 182.0
[M+NH4]+ 414.01646 193.1
[M+K]+ 434.94580 188.2
[M+H-H2O]+ 378.97990 167.1
[M+HCOO]- 440.98084 183.0
[M+CH3COO]- 454.99649 226.3
[M+Na-2H]- 416.95731 177.6
[M]+ 395.98209 179.0
[M]- 395.98319 179.0
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.