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]+ 205.07201 139.5
[M+Na]+ 227.05395 152.0
[M+NH4]+ 222.09855 146.7
[M+K]+ 243.02789 151.3
[M-H]- 203.05745 143.1
[M+Na-2H]- 225.03940 146.7
[M]+ 204.06418 141.9
[M]- 204.06528 141.9
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