CID 123155

1-(4-nitrophenyl)-1h-imidazole

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC(=CC=C1N2C=CN=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O2/c13-12(14)9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7H
InChIKey
PUCOOPJLAXJKOO-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

210
Patents

189.05383 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 136.4
[M+Na]+ 212.04305 144.5
[M-H]- 188.04655 141.2
[M+NH4]+ 207.08765 154.0
[M+K]+ 228.01699 138.1
[M+H-H2O]+ 172.05109 132.8
[M+HCOO]- 234.05203 161.8
[M+CH3COO]- 248.06768 174.9
[M+Na-2H]- 210.02850 145.4
[M]+ 189.05328 134.5
[M]- 189.05438 134.5
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