CID 71428955

2,6-dibromo-4-(2,4,6-tribromophenoxy)phenol

Structural Information

Molecular Formula
C12H5Br5O2
SMILES
C1=C(C=C(C(=C1Br)O)Br)OC2=C(C=C(C=C2Br)Br)Br
InChI
InChI=1S/C12H5Br5O2/c13-5-1-9(16)12(10(17)2-5)19-6-3-7(14)11(18)8(15)4-6/h1-4,18H
InChIKey
WVVITAMDLUEXSZ-UHFFFAOYSA-N
Compound name
2,6-dibromo-4-(2,4,6-tribromophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
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

No patent data available for this compound.