CID 163682

1h-pyrazole-4-carboxamide, 1-(4-chlorophenyl)-n-methyl-5-(trifluoromethyl)-

Structural Information

Molecular Formula
C12H9ClF3N3O
SMILES
CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C12H9ClF3N3O/c1-17-11(20)9-6-18-19(10(9)12(14,15)16)8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,20)
InChIKey
IGWLREIMOUKKMC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

303.03864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04592 163.0
[M+Na]+ 326.02786 172.3
[M+NH4]+ 321.07246 167.4
[M+K]+ 342.00180 169.0
[M-H]- 302.03136 160.4
[M+Na-2H]- 324.01331 167.5
[M]+ 303.03809 163.4
[M]- 303.03919 163.4
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