CID 74281451

2,6-dibromo-4-(2,4-dibromophenoxy)phenol

Structural Information

Molecular Formula
C12H6Br4O2
SMILES
C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C(=C2)Br)O)Br
InChI
InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(14)3-6)18-7-4-9(15)12(17)10(16)5-7/h1-5,17H
InChIKey
XPEXQXQNICTMKI-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-(2,4-dibromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

497.71014 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.71742 164.4
[M+Na]+ 520.69936 159.6
[M+NH4]+ 515.74396 165.4
[M+K]+ 536.67330 165.7
[M-H]- 496.70286 166.5
[M+Na-2H]- 518.68481 165.7
[M]+ 497.70959 164.8
[M]- 497.71069 164.8
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.