CID 11816925

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

Structural Information

Molecular Formula
C9H7BrN2
SMILES
C1=CC=C(C(=C1)C2=CN=CN2)Br
InChI
InChI=1S/C9H7BrN2/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey
FELOTSCACKQLHT-UHFFFAOYSA-N
Compound name
5-(2-bromophenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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

No literature data available for this compound.

Patent stripe

patents stripe