CID 16227845

5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H8F3N3O2
SMILES
CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H8F3N3O2/c1-6-8(10(18)19)5-16-17(6)9-3-2-7(4-15-9)11(12,13)14/h2-5H,1H3,(H,18,19)
InChIKey
QWUOVGDXFAZAAB-UHFFFAOYSA-N
Compound name
5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

271.05685 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06413 160.1
[M+Na]+ 294.04607 168.9
[M+NH4]+ 289.09067 163.3
[M+K]+ 310.02001 167.1
[M-H]- 270.04957 155.6
[M+Na-2H]- 292.03152 163.5
[M]+ 271.05630 159.6
[M]- 271.05740 159.6
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