CID 50989144

3-(methoxycarbonyl)-1-phenyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C12H10N2O4
SMILES
COC(=O)C1=NN(C(=C1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H10N2O4/c1-18-12(17)9-7-10(11(15)16)14(13-9)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
InChIKey
SLJTZTNLUWMGGP-UHFFFAOYSA-N
Compound name
5-methoxycarbonyl-2-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.06406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 153.1
[M+Na]+ 269.05328 164.6
[M+NH4]+ 264.09788 158.6
[M+K]+ 285.02722 162.6
[M-H]- 245.05678 153.3
[M+Na-2H]- 267.03873 158.7
[M]+ 246.06351 154.4
[M]- 246.06461 154.4
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.