CID 86578251

6,6'-oxybis(2,4-dibromophenol)

Structural Information

Molecular Formula
C12H6Br4O3
SMILES
C1=C(C=C(C(=C1OC2=C(C(=CC(=C2)Br)Br)O)O)Br)Br
InChI
InChI=1S/C12H6Br4O3/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
InChIKey
KIHDTBLTKPAXNV-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

513.705 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.71228 158.2
[M+Na]+ 536.69422 163.6
[M-H]- 512.69772 162.4
[M+NH4]+ 531.73882 166.8
[M+K]+ 552.66816 151.1
[M+H-H2O]+ 496.70226 175.8
[M+HCOO]- 558.70320 163.0
[M+CH3COO]- 572.71885 238.8
[M+Na-2H]- 534.67967 159.6
[M]+ 513.70445 196.8
[M]- 513.70555 196.8
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.