CID 339231

2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol

Structural Information

Molecular Formula
C12H4Br6O3
SMILES
C1=C(C=C(C(=C1OC2=C(C(=C(C(=C2Br)Br)Br)Br)O)O)Br)Br
InChI
InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
InChIKey
OMYZFHYKAPRFFQ-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

669.52606 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 670.53334 181.8
[M+Na]+ 692.51528 190.8
[M-H]- 668.51878 185.5
[M+NH4]+ 687.55988 187.1
[M+K]+ 708.48922 180.5
[M+H-H2O]+ 652.52332 195.4
[M+HCOO]- 714.52426 184.1
[M+CH3COO]- 728.53991 251.6
[M+Na-2H]- 690.50073 179.7
[M]+ 669.52551 202.7
[M]- 669.52661 202.7
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