CID 50990493

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H4ClF6N3O2
SMILES
C1=C(C=NC(=C1Cl)N2C(=C(C=N2)C(=O)O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H4ClF6N3O2/c12-6-1-4(10(13,14)15)2-19-8(6)21-7(11(16,17)18)5(3-20-21)9(22)23/h1-3H,(H,22,23)
InChIKey
VGWOABJDCVHEQG-UHFFFAOYSA-N
Compound name
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.98962 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.99690 178.8
[M+Na]+ 381.97884 183.5
[M+NH4]+ 377.02344 179.1
[M+K]+ 397.95278 182.1
[M-H]- 357.98234 171.0
[M+Na-2H]- 379.96429 178.7
[M]+ 358.98907 176.8
[M]- 358.99017 176.8
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.