CID 526307

2,3,4,6,7,8-hexabromodibenzofuran

Structural Information

Molecular Formula
C12H2Br6O
SMILES
C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Br)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H2Br6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H
InChIKey
GKJPDCOZDNSVRH-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8-hexabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

635.52057 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.52785 168.8
[M+Na]+ 658.50979 168.1
[M+NH4]+ 653.55439 169.1
[M+K]+ 674.48373 169.2
[M-H]- 634.51329 169.3
[M+Na-2H]- 656.49524 169.1
[M]+ 635.52002 169.1
[M]- 635.52112 169.1
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

No patent data available for this compound.