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

13
Patents

204.06473 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.072006 139.2
[M+Na]+ 227.053948 147.1
[M-H]- 203.057454 143.8
[M+NH4]+ 222.098553 155.8
[M+K]+ 243.027888 140.2
[M+H-H2O]+ 187.061990 135.5
[M+HCOO]- 249.062931 164.9
[M+CH3COO]- 263.078581 179.9
[M+Na-2H]- 225.039396 147.2
[M]+ 204.06418142 135.9
[M]- 204.06527858 135.9
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

patents stripe