CID 7565

1-bromo-4-phenoxybenzene

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

19
References

1658
Patents

247.98367 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99095 143.4
[M+Na]+ 270.97289 149.7
[M+NH4]+ 266.01749 149.9
[M+K]+ 286.94683 147.6
[M-H]- 246.97639 147.1
[M+Na-2H]- 268.95834 151.1
[M]+ 247.98312 144.4
[M]- 247.98422 144.4
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