CID 117259894

1823875-69-9

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC=C(C=C1)CC2=CN=C(N2)Br
InChI
InChI=1S/C10H9BrN2/c11-10-12-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)
InChIKey
RDRKOSZTWHSEBC-UHFFFAOYSA-N
Compound name
5-benzyl-2-bromo-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9949 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.002176 143.3
[M+Na]+ 258.984118 155.3
[M-H]- 234.987624 149.0
[M+NH4]+ 254.028723 163.3
[M+K]+ 274.958058 143.3
[M+H-H2O]+ 218.992160 142.5
[M+HCOO]- 280.993101 163.6
[M+CH3COO]- 295.008751 158.0
[M+Na-2H]- 256.969566 150.8
[M]+ 235.99435142 160.3
[M]- 235.99544858 160.3
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

No patent data available for this compound.