CID 30891

2,2'-dihydroxy-3,3',5,5'-tetrabromobiphenyl

Structural Information

Molecular Formula
C12H6Br4O2
SMILES
C1=C(C=C(C(=C1C2=C(C(=CC(=C2)Br)Br)O)O)Br)Br
InChI
InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
InChIKey
TXODBIOSWNNKJM-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

517
Patents

497.71014 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.71742 157.6
[M+Na]+ 520.69936 163.2
[M-H]- 496.70286 161.8
[M+NH4]+ 515.74396 166.5
[M+K]+ 536.67330 150.4
[M+H-H2O]+ 480.70740 175.3
[M+HCOO]- 542.70834 162.3
[M+CH3COO]- 556.72399 238.1
[M+Na-2H]- 518.68481 158.9
[M]+ 497.70959 195.7
[M]- 497.71069 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