CID 139597677

2,4-dibromo-3-(2,4-dibromophenoxy)phenol

Structural Information

Molecular Formula
C12H6Br4O2
SMILES
C1=CC(=C(C=C1Br)Br)OC2=C(C=CC(=C2Br)O)Br
InChI
InChI=1S/C12H6Br4O2/c13-6-1-4-10(8(15)5-6)18-12-7(14)2-3-9(17)11(12)16/h1-5,17H
InChIKey
WMWMDGKRWPECMY-UHFFFAOYSA-N
Compound name
2,4-dibromo-3-(2,4-dibromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 498.717416 156.7
[M+Na]+ 520.699358 162.4
[M-H]- 496.702864 161.3
[M+NH4]+ 515.743963 165.9
[M+K]+ 536.673298 150.0
[M+H-H2O]+ 480.707400 174.7
[M+HCOO]- 542.708341 162.1
[M+CH3COO]- 556.723991 238.5
[M+Na-2H]- 518.684806 158.6
[M]+ 497.70959142 195.5
[M]- 497.71068858 195.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.