CID 15509897

2,3',4,4',6-pentabromodiphenyl ether

Structural Information

Molecular Formula
C12H5Br5O
SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)Br)Br)Br)Br
InChI
InChI=1S/C12H5Br5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5H
InChIKey
KXEOYBYEJCRPGB-UHFFFAOYSA-N
Compound name
1,3,5-tribromo-2-(3,4-dibromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

559.62573 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.63301 166.6
[M+Na]+ 582.61495 164.4
[M+NH4]+ 577.65955 167.2
[M+K]+ 598.58889 167.4
[M-H]- 558.61845 167.9
[M+Na-2H]- 580.60040 167.4
[M]+ 559.62518 167.1
[M]- 559.62628 167.1
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