CID 96165

1-bromo-3-phenoxybenzene

Structural Information

Molecular Formula
C12H9BrO
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)Br
InChI
InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
InChIKey
AHDAKFFMKLQPTD-UHFFFAOYSA-N
Compound name
1-bromo-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

515
Patents

247.98367 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.990946 145.2
[M+Na]+ 270.972888 156.5
[M-H]- 246.976394 154.5
[M+NH4]+ 266.017493 166.0
[M+K]+ 286.946828 145.5
[M+H-H2O]+ 230.980930 145.0
[M+HCOO]- 292.981871 167.9
[M+CH3COO]- 306.997521 189.3
[M+Na-2H]- 268.958336 154.4
[M]+ 247.98312142 164.0
[M]- 247.98421858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe