CID 6537506

Octabromodiphenyl ether

Structural Information

Molecular Formula
C12H2Br8O
SMILES
C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H
InChIKey
ORYGKUIDIMIRNN-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

4335
Patents

793.3573 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 794.36458 169.8
[M+Na]+ 816.34652 169.7
[M+NH4]+ 811.39112 169.8
[M+K]+ 832.32046 169.8
[M-H]- 792.35002 169.8
[M+Na-2H]- 814.33197 169.8
[M]+ 793.35675 169.8
[M]- 793.35785 169.8
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