CID 818595

4-(4-bromophenyl)-1h-imidazole

Structural Information

Molecular Formula
C9H7BrN2
SMILES
C1=CC(=CC=C1C2=CN=CN2)Br
InChI
InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey
YLIOAWKNPLJMID-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

221
Patents

221.97926 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98654 138.7
[M+Na]+ 244.96848 151.2
[M-H]- 220.97198 144.7
[M+NH4]+ 240.01308 159.3
[M+K]+ 260.94242 139.4
[M+H-H2O]+ 204.97652 138.1
[M+HCOO]- 266.97746 159.3
[M+CH3COO]- 280.99311 153.9
[M+Na-2H]- 242.95393 146.8
[M]+ 221.97871 155.4
[M]- 221.97981 155.4
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