CID 28911485

4-(2-bromophenyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

247.98367 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99095 145.5
[M+Na]+ 270.97289 157.2
[M-H]- 246.97639 153.9
[M+NH4]+ 266.01749 165.9
[M+K]+ 286.94683 145.3
[M+H-H2O]+ 230.98093 145.6
[M+HCOO]- 292.98187 166.8
[M+CH3COO]- 306.99752 160.7
[M+Na-2H]- 268.95834 153.6
[M]+ 247.98312 163.0
[M]- 247.98422 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe