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 138.9
[M+Na]+ 227.05395 146.4
[M-H]- 203.05745 142.1
[M+NH4]+ 222.09855 154.8
[M+K]+ 243.02789 138.6
[M+H-H2O]+ 187.06199 135.4
[M+HCOO]- 249.06293 163.1
[M+CH3COO]- 263.07858 177.2
[M+Na-2H]- 225.03940 146.5
[M]+ 204.06418 133.8
[M]- 204.06528 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