CID 11952901

3,4,5-tribromo-2-(2,4-dibromophenoxy)phenol

Structural Information

Molecular Formula
C12H5Br5O2
SMILES
C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2O)Br)Br)Br
InChI
InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(18)4-7(15)10(16)11(12)17/h1-4,18H
InChIKey
LNZHBUPVHNJGJG-UHFFFAOYSA-N
Compound name
3,4,5-tribromo-2-(2,4-dibromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

575.62067 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.62795 169.4
[M+Na]+ 598.60989 176.0
[M-H]- 574.61339 173.1
[M+NH4]+ 593.65449 176.1
[M+K]+ 614.58383 165.2
[M+H-H2O]+ 558.61793 186.6
[M+HCOO]- 620.61887 172.5
[M+CH3COO]- 634.63452 247.1
[M+Na-2H]- 596.59534 169.0
[M]+ 575.62012 200.0
[M]- 575.62122 200.0
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