CID 28688793

4-(4-nitrophenyl)-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CC(=CC=C1C2=C(NN=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O2/c10-9-8(5-11-12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12)
InChIKey
DQSHNMWDEQUSHK-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.06473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.072006 138.9
[M+Na]+ 227.053948 146.4
[M-H]- 203.057454 142.1
[M+NH4]+ 222.098553 154.8
[M+K]+ 243.027888 138.6
[M+H-H2O]+ 187.061990 135.4
[M+HCOO]- 249.062931 163.1
[M+CH3COO]- 263.078581 177.2
[M+Na-2H]- 225.039396 146.5
[M]+ 204.06418142 133.8
[M]- 204.06527858 133.8
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