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

15
Patents

237.97418 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98146 141.4
[M+Na]+ 260.96340 153.7
[M-H]- 236.96690 147.3
[M+NH4]+ 256.00800 161.2
[M+K]+ 276.93734 142.4
[M+H-H2O]+ 220.97144 140.6
[M+HCOO]- 282.97238 162.2
[M+CH3COO]- 296.98803 156.4
[M+Na-2H]- 258.94885 149.4
[M]+ 237.97363 159.4
[M]- 237.97473 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