CID 15561966

4-(4-bromophenoxy)phenol

Structural Information

Molecular Formula
C12H9BrO2
SMILES
C1=CC(=CC=C1O)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H9BrO2/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChIKey
HMBBTPMHPQGJMR-UHFFFAOYSA-N
Compound name
4-(4-bromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

263.97858 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98586 148.5
[M+Na]+ 286.96780 160.0
[M-H]- 262.97130 156.8
[M+NH4]+ 282.01240 168.2
[M+K]+ 302.94174 148.6
[M+H-H2O]+ 246.97584 148.2
[M+HCOO]- 308.97678 169.9
[M+CH3COO]- 322.99243 189.8
[M+Na-2H]- 284.95325 156.5
[M]+ 263.97803 167.3
[M]- 263.97913 167.3
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