CID 23076391

1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H7F3N2O2
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C11H7F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)16-6-7(5-15-16)10(17)18/h1-6H,(H,17,18)
InChIKey
LVXUGHWZJOBYDX-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.04596 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05324 156.5
[M+Na]+ 279.03518 165.3
[M+NH4]+ 274.07978 160.6
[M+K]+ 295.00912 163.0
[M-H]- 255.03868 152.8
[M+Na-2H]- 277.02063 160.6
[M]+ 256.04541 156.3
[M]- 256.04651 156.3
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.