CID 22374064

1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

Structural Information

Molecular Formula
C6H6F3N3O
SMILES
CN1C=C(C(=N1)C(F)(F)F)C(=O)N
InChI
InChI=1S/C6H6F3N3O/c1-12-2-3(5(10)13)4(11-12)6(7,8)9/h2H,1H3,(H2,10,13)
InChIKey
UTBJLKDVQNCKAS-UHFFFAOYSA-N
Compound name
1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

225
Patents

193.0463 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05358 134.4
[M+Na]+ 216.03552 144.6
[M-H]- 192.03902 132.0
[M+NH4]+ 211.08012 152.8
[M+K]+ 232.00946 142.5
[M+H-H2O]+ 176.04356 125.6
[M+HCOO]- 238.04450 153.1
[M+CH3COO]- 252.06015 184.1
[M+Na-2H]- 214.02097 137.6
[M]+ 193.04575 129.9
[M]- 193.04685 129.9
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.