CID 2769614

1-(4-fluorophenyl)-3-phenyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C16H11FN2O2
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11FN2O2/c17-12-6-8-13(9-7-12)19-15(16(20)21)10-14(18-19)11-4-2-1-3-5-11/h1-10H,(H,20,21)
InChIKey
XZVHZHLRTMJELS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.08044 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08772 161.5
[M+Na]+ 305.06966 170.7
[M-H]- 281.07316 166.9
[M+NH4]+ 300.11426 175.4
[M+K]+ 321.04360 165.2
[M+H-H2O]+ 265.07770 151.5
[M+HCOO]- 327.07864 181.8
[M+CH3COO]- 341.09429 173.1
[M+Na-2H]- 303.05511 163.9
[M]+ 282.07989 160.3
[M]- 282.08099 160.3
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.