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

510
Patents

247.98367 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99095 145.2
[M+Na]+ 270.97289 156.5
[M-H]- 246.97639 154.5
[M+NH4]+ 266.01749 166.0
[M+K]+ 286.94683 145.5
[M+H-H2O]+ 230.98093 145.0
[M+HCOO]- 292.98187 167.9
[M+CH3COO]- 306.99752 189.3
[M+Na-2H]- 268.95834 154.4
[M]+ 247.98312 164.0
[M]- 247.98422 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