CID 11506596

2-(4-nitrophenyl)-1h-imidazole

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC(=CC=C1C2=NC=CN2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-10-5-6-11-9/h1-6H,(H,10,11)
InChIKey
GJKIAPNNPWBCOF-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

202
Patents

189.05383 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 136.3
[M+Na]+ 212.04305 143.8
[M-H]- 188.04655 139.6
[M+NH4]+ 207.08765 153.1
[M+K]+ 228.01699 136.5
[M+H-H2O]+ 172.05109 133.0
[M+HCOO]- 234.05203 160.1
[M+CH3COO]- 248.06768 172.1
[M+Na-2H]- 210.02850 144.9
[M]+ 189.05328 132.5
[M]- 189.05438 132.5
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