CID 28948744

3-(1-benzofuran-2-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H8N2O3
SMILES
C1=CC=C2C(=C1)C=C(O2)C3=C(C=NN3)C(=O)O
InChI
InChI=1S/C12H8N2O3/c15-12(16)8-6-13-14-11(8)10-5-7-3-1-2-4-9(7)17-10/h1-6H,(H,13,14)(H,15,16)
InChIKey
MJARSEFLZBNZKP-UHFFFAOYSA-N
Compound name
5-(1-benzofuran-2-yl)-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0535 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06078 146.6
[M+Na]+ 251.04272 159.7
[M+NH4]+ 246.08732 153.8
[M+K]+ 267.01666 158.7
[M-H]- 227.04622 149.1
[M+Na-2H]- 249.02817 152.5
[M]+ 228.05295 149.0
[M]- 228.05405 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.