CID 11654737

2-bromo-4-(2,4-dibromophenoxy)phenol

Structural Information

Molecular Formula
C12H7Br3O2
SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2)Br)Br)Br)O
InChI
InChI=1S/C12H7Br3O2/c13-7-1-4-12(10(15)5-7)17-8-2-3-11(16)9(14)6-8/h1-6,16H
InChIKey
GRIMQKMDNNAKOA-UHFFFAOYSA-N
Compound name
2-bromo-4-(2,4-dibromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

419.79962 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.80690 161.0
[M+Na]+ 442.78884 154.5
[M+NH4]+ 437.83344 162.1
[M+K]+ 458.76278 162.4
[M-H]- 418.79234 163.3
[M+Na-2H]- 440.77429 162.6
[M]+ 419.79907 160.6
[M]- 419.80017 160.6
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.