CID 12678771

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

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CC(=CC=C1N2C(=CC=N2)N)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O2/c10-9-5-6-11-12(9)7-1-3-8(4-2-7)13(14)15/h1-6H,10H2
InChIKey
NORCOSFUIHPSGT-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

204.06473 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07201 139.4
[M+Na]+ 227.05395 152.4
[M+NH4]+ 222.09855 146.9
[M+K]+ 243.02789 151.4
[M-H]- 203.05745 143.6
[M+Na-2H]- 225.03940 147.2
[M]+ 204.06418 142.1
[M]- 204.06528 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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