CID 50899959

4,4',6-tribromo-2,2'-biphenol

Structural Information

Molecular Formula
C12H7Br3O2
SMILES
C1=CC(=C(C=C1Br)C2=C(C(=CC(=C2)Br)Br)O)O
InChI
InChI=1S/C12H7Br3O2/c13-6-1-2-11(16)8(3-6)9-4-7(14)5-10(15)12(9)17/h1-5,16-17H
InChIKey
KLKDPRUXCGOLFU-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(5-bromo-2-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

419.79962 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.80690 151.5
[M+Na]+ 442.78884 159.0
[M-H]- 418.79234 157.4
[M+NH4]+ 437.83344 164.2
[M+K]+ 458.76278 143.8
[M+H-H2O]+ 402.79688 166.0
[M+HCOO]- 464.79782 160.4
[M+CH3COO]- 478.81347 224.1
[M+Na-2H]- 440.77429 155.2
[M]+ 419.79907 191.7
[M]- 419.80017 191.7
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

No patent data available for this compound.