CID 350310

4-hydroxy-1-phenyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)O
InChI
InChI=1S/C10H8N2O3/c13-8-6-12(11-9(8)10(14)15)7-4-2-1-3-5-7/h1-6,13H,(H,14,15)
InChIKey
HYHGNSBTVTYOIK-UHFFFAOYSA-N
Compound name
4-hydroxy-1-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

204.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 141.0
[M+Na]+ 227.04272 150.0
[M-H]- 203.04622 143.3
[M+NH4]+ 222.08732 157.6
[M+K]+ 243.01666 146.8
[M+H-H2O]+ 187.05076 133.7
[M+HCOO]- 249.05170 161.7
[M+CH3COO]- 263.06735 178.7
[M+Na-2H]- 225.02817 145.1
[M]+ 204.05295 140.5
[M]- 204.05405 140.5
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