CID 243556

3,5-dibromobiphenyl-4-ol

Structural Information

Molecular Formula
C12H8Br2O
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C12H8Br2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H
InChIKey
SKQRVOXIIAXXEM-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-phenylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

10
Patents

325.8942 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.90148 148.4
[M+Na]+ 348.88342 159.2
[M-H]- 324.88692 156.8
[M+NH4]+ 343.92802 166.2
[M+K]+ 364.85736 143.6
[M+H-H2O]+ 308.89146 156.6
[M+HCOO]- 370.89240 164.2
[M+CH3COO]- 384.90805 205.6
[M+Na-2H]- 346.86887 155.2
[M]+ 325.89365 181.7
[M]- 325.89475 181.7
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