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

11
Patents

247.98367 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.990946 145.5
[M+Na]+ 270.972888 157.2
[M-H]- 246.976394 153.9
[M+NH4]+ 266.017493 165.9
[M+K]+ 286.946828 145.3
[M+H-H2O]+ 230.980930 145.6
[M+HCOO]- 292.981871 166.8
[M+CH3COO]- 306.997521 160.7
[M+Na-2H]- 268.958336 153.6
[M]+ 247.98312142 163.0
[M]- 247.98421858 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