CID 58356379

1-methyl-4-(trifluoromethyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H5F3N2O2
SMILES
CN1C(=C(C=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C6H5F3N2O2/c1-11-4(5(12)13)3(2-10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChIKey
PQMODFXPVBWFTK-UHFFFAOYSA-N
Compound name
2-methyl-4-(trifluoromethyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

194.03032 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03760 142.3
[M+Na]+ 217.01954 149.4
[M+NH4]+ 212.06414 145.9
[M+K]+ 232.99348 148.4
[M-H]- 193.02304 136.0
[M+Na-2H]- 215.00499 143.6
[M]+ 194.02977 140.9
[M]- 194.03087 140.9
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

patents stripe