CID 20445356

4-(5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1C=NN(C1=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H8N2O3/c13-9-5-6-11-12(9)8-3-1-7(2-4-8)10(14)15/h1-4,6H,5H2,(H,14,15)
InChIKey
XHOJEWODOZMYDL-UHFFFAOYSA-N
Compound name
4-(5-oxo-4H-pyrazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.0535 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 142.9
[M+Na]+ 227.04272 154.7
[M+NH4]+ 222.08732 149.4
[M+K]+ 243.01666 151.9
[M-H]- 203.04622 143.6
[M+Na-2H]- 225.02817 148.9
[M]+ 204.05295 144.4
[M]- 204.05405 144.4
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