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

90
Patents

233.04366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.050936 145.8
[M+Na]+ 256.032878 153.4
[M-H]- 232.036384 149.5
[M+NH4]+ 251.077483 160.8
[M+K]+ 272.006818 146.8
[M+H-H2O]+ 216.040920 142.4
[M+HCOO]- 278.041861 168.8
[M+CH3COO]- 292.057511 180.2
[M+Na-2H]- 254.018326 152.4
[M]+ 233.04311142 144.1
[M]- 233.04420858 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