CID 168010264

3,6-dibromo-2-(5-bromo-2-hydroxyphenoxy)phenol

Structural Information

Molecular Formula
C12H7Br3O3
SMILES
C1=CC(=C(C=C1Br)OC2=C(C=CC(=C2O)Br)Br)O
InChI
InChI=1S/C12H7Br3O3/c13-6-1-4-9(16)10(5-6)18-12-8(15)3-2-7(14)11(12)17/h1-5,16-17H
InChIKey
DTRDRUPAUUMKLU-UHFFFAOYSA-N
Compound name
3,6-dibromo-2-(5-bromo-2-hydroxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.79453 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.80181 152.7
[M+Na]+ 458.78375 160.0
[M-H]- 434.78725 158.5
[M+NH4]+ 453.82835 164.9
[M+K]+ 474.75769 145.1
[M+H-H2O]+ 418.79179 167.0
[M+HCOO]- 480.79273 161.6
[M+CH3COO]- 494.80838 225.2
[M+Na-2H]- 456.76920 156.4
[M]+ 435.79398 193.6
[M]- 435.79508 193.6
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.