CID 3063854

1h-pyrazole-3-carboxamide, 5-methyl-n-(2-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C12H10F3N3O
SMILES
CC1=CC(=NN1)C(=O)NC2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C12H10F3N3O/c1-7-6-10(18-17-7)11(19)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKey
PBFXDKVIRLUZCT-UHFFFAOYSA-N
Compound name
5-methyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08488 155.8
[M+Na]+ 292.06682 164.3
[M-H]- 268.07032 155.3
[M+NH4]+ 287.11142 170.3
[M+K]+ 308.04076 159.4
[M+H-H2O]+ 252.07486 145.5
[M+HCOO]- 314.07580 173.1
[M+CH3COO]- 328.09145 195.1
[M+Na-2H]- 290.05227 158.9
[M]+ 269.07705 150.3
[M]- 269.07815 150.3
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.