CID 18698774

5-(4-bromophenoxy)-1h-imidazole

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC(=CC=C1OC2=CN=CN2)Br
InChI
InChI=1S/C9H7BrN2O/c10-7-1-3-8(4-2-7)13-9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey
XIVSRCQDNDEYFO-UHFFFAOYSA-N
Compound name
5-(4-bromophenoxy)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

237.97418 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 141.4
[M+Na]+ 260.963398 153.7
[M-H]- 236.966904 147.3
[M+NH4]+ 256.008003 161.2
[M+K]+ 276.937338 142.4
[M+H-H2O]+ 220.971440 140.6
[M+HCOO]- 282.972381 162.2
[M+CH3COO]- 296.988031 156.4
[M+Na-2H]- 258.948846 149.4
[M]+ 237.97363142 159.4
[M]- 237.97472858 159.4
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