CID 131841456

5-bromo-3-(2,4-dibromo-6-hydroxyphenoxy)benzene-1,2-diol

Structural Information

Molecular Formula
C12H7Br3O4
SMILES
C1=C(C=C(C(=C1O)O)OC2=C(C=C(C=C2Br)Br)O)Br
InChI
InChI=1S/C12H7Br3O4/c13-5-1-7(15)12(9(17)3-5)19-10-4-6(14)2-8(16)11(10)18/h1-4,16-18H
InChIKey
DKRYYIIVJRUKGL-UHFFFAOYSA-N
Compound name
5-bromo-3-(2,4-dibromo-6-hydroxyphenoxy)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

451.78946 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.79674 154.6
[M+Na]+ 474.77868 161.6
[M-H]- 450.78218 159.6
[M+NH4]+ 469.82328 166.0
[M+K]+ 490.75262 146.6
[M+H-H2O]+ 434.78672 168.4
[M+HCOO]- 496.78766 162.5
[M+CH3COO]- 510.80331 225.9
[M+Na-2H]- 472.76413 157.5
[M]+ 451.78891 195.2
[M]- 451.79001 195.2
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.