CID 2769615

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

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-10-15(16(20)21)19(18-14)13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKey
YTECAJSUOLDFHJ-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.0509 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 166.4
[M+Na]+ 321.04012 182.5
[M+NH4]+ 316.08472 174.3
[M+K]+ 337.01406 176.4
[M-H]- 297.04362 170.9
[M+Na-2H]- 319.02557 176.3
[M]+ 298.05035 170.3
[M]- 298.05145 170.3
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.

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