CID 11455391

3,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)phenol

Structural Information

Molecular Formula
C13H8Br4O3
SMILES
COC1=C(C=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)O
InChI
InChI=1S/C13H8Br4O3/c1-19-13-9(17)3-7(15)5-11(13)20-12-8(16)2-6(14)4-10(12)18/h2-5,18H,1H3
InChIKey
KMQWWGLIGSFYAT-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

527.7207 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.72798 159.2
[M+Na]+ 550.70992 164.8
[M-H]- 526.71342 163.8
[M+NH4]+ 545.75452 168.0
[M+K]+ 566.68386 152.5
[M+H-H2O]+ 510.71796 176.8
[M+HCOO]- 572.71890 164.4
[M+CH3COO]- 586.73455 240.5
[M+Na-2H]- 548.69537 160.6
[M]+ 527.72015 198.6
[M]- 527.72125 198.6
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

patents stripe