CID 23246249

3,4,5-tribromo-2-(3,5-dibromo-2-methoxyphenoxy)phenol

Structural Information

Molecular Formula
C13H7Br5O3
SMILES
COC1=C(C=C(C=C1Br)Br)OC2=C(C(=C(C=C2O)Br)Br)Br
InChI
InChI=1S/C13H7Br5O3/c1-20-12-7(16)2-5(14)3-9(12)21-13-8(19)4-6(15)10(17)11(13)18/h2-4,19H,1H3
InChIKey
LWXUPDPSLGLZAL-UHFFFAOYSA-N
Compound name
3,4,5-tribromo-2-(3,5-dibromo-2-methoxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

605.6312 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.63848 170.9
[M+Na]+ 628.62042 177.4
[M-H]- 604.62392 174.6
[M+NH4]+ 623.66502 177.3
[M+K]+ 644.59436 166.7
[M+H-H2O]+ 588.62846 187.8
[M+HCOO]- 650.62940 173.9
[M+CH3COO]- 664.64505 248.1
[M+Na-2H]- 626.60587 170.1
[M]+ 605.63065 201.7
[M]- 605.63175 201.7
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.