CID 84727

4,4',6,6'-tetrabromo-2,2'-biphenyldiol

Structural Information

Molecular Formula
C12H6Br4O2
SMILES
C1=C(C=C(C(=C1O)C2=C(C=C(C=C2Br)Br)O)Br)Br
InChI
InChI=1S/C12H6Br4O2/c13-5-1-7(15)11(9(17)3-5)12-8(16)2-6(14)4-10(12)18/h1-4,17-18H
InChIKey
ZNJKDCNQQCLEFG-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(2,4-dibromo-6-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

497.71014 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.717416 157.6
[M+Na]+ 520.699358 163.2
[M-H]- 496.702864 161.8
[M+NH4]+ 515.743963 166.5
[M+K]+ 536.673298 150.4
[M+H-H2O]+ 480.707400 175.3
[M+HCOO]- 542.708341 162.3
[M+CH3COO]- 556.723991 238.1
[M+Na-2H]- 518.684806 158.9
[M]+ 497.70959142 195.7
[M]- 497.71068858 195.7
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