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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.98146	147.3
[M+Na]+	260.96340	151.3
[M+NH4]+	256.00800	152.0
[M+K]+	276.93734	152.2
[M-H]-	236.96690	148.2
[M+Na-2H]-	258.94885	152.1
[M]+	237.97363	146.9
[M]-	237.97473	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe