CID 23084935

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

Structural Information

Molecular Formula
C10H7N3O4
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O4/c14-10(15)9-8(13(16)17)6-12(11-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey
HZENRRKFQYHSJU-UHFFFAOYSA-N
Compound name
4-nitro-1-phenylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

233.04366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05094 145.8
[M+Na]+ 256.03288 153.4
[M-H]- 232.03638 149.5
[M+NH4]+ 251.07748 160.8
[M+K]+ 272.00682 146.8
[M+H-H2O]+ 216.04092 142.4
[M+HCOO]- 278.04186 168.8
[M+CH3COO]- 292.05751 180.2
[M+Na-2H]- 254.01833 152.4
[M]+ 233.04311 144.1
[M]- 233.04421 144.1
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