CID 19624553

1-(2-nitrophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 146.0
[M+Na]+ 256.03288 158.6
[M+NH4]+ 251.07748 152.1
[M+K]+ 272.00682 158.8
[M-H]- 232.03638 148.1
[M+Na-2H]- 254.01833 152.4
[M]+ 233.04311 148.0
[M]- 233.04421 148.0
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