CID 97559

62084-02-0

Structural Information

Molecular Formula
C10H7N3O5
SMILES
C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C10H7N3O5/c14-9-5-8(10(15)16)11-12(9)6-1-3-7(4-2-6)13(17)18/h1-4H,5H2,(H,15,16)
InChIKey
VIISNFKYOKHEAI-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.03857 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04585 149.5
[M+Na]+ 272.02779 161.1
[M+NH4]+ 267.07239 154.7
[M+K]+ 288.00173 162.2
[M-H]- 248.03129 150.8
[M+Na-2H]- 270.01324 154.2
[M]+ 249.03802 151.0
[M]- 249.03912 151.0
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