CID 15456945

5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-trifluoromethylsulfonyl-1h-pyrazole-3-carboxylic acid amide

Structural Information

Molecular Formula
C12H6Cl2F6N4O3S
SMILES
C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F
InChI
InChI=1S/C12H6Cl2F6N4O3S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)28(26,27)12(18,19)20/h1-2H,21H2,(H2,22,25)
InChIKey
WFYDBXJSQSXVDE-UHFFFAOYSA-N
Compound name
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

21
Patents

469.94418 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.95146 188.6
[M+Na]+ 492.93340 200.9
[M-H]- 468.93690 186.2
[M+NH4]+ 487.97800 197.4
[M+K]+ 508.90734 193.3
[M+H-H2O]+ 452.94144 178.7
[M+HCOO]- 514.94238 187.3
[M+CH3COO]- 528.95803 229.6
[M+Na-2H]- 490.91885 186.4
[M]+ 469.94363 186.2
[M]- 469.94473 186.2
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.