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 161.7
[M+Na]+ 326.02786 172.3
[M-H]- 302.03136 162.7
[M+NH4]+ 321.07246 176.7
[M+K]+ 342.00180 166.4
[M+H-H2O]+ 286.03590 151.6
[M+HCOO]- 348.03684 175.9
[M+CH3COO]- 362.05249 202.5
[M+Na-2H]- 324.01331 164.0
[M]+ 303.03809 160.5
[M]- 303.03919 160.5
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