CID 44151788

1,2,3,7,8,9-hexabromodibenzofuran

Structural Information

Molecular Formula
C12H2Br6O
SMILES
C1=C2C(=C(C(=C1Br)Br)Br)C3=C(C(=C(C=C3O2)Br)Br)Br
InChI
InChI=1S/C12H2Br6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H
InChIKey
BWGBHHLGDVHQEM-UHFFFAOYSA-N
Compound name
1,2,3,7,8,9-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 178.1
[M+Na]+ 658.50979 187.5
[M-H]- 634.51329 182.1
[M+NH4]+ 653.55439 184.0
[M+K]+ 674.48373 178.0
[M+H-H2O]+ 618.51783 192.2
[M+HCOO]- 680.51877 180.8
[M+CH3COO]- 694.53442 181.0
[M+Na-2H]- 656.49524 176.7
[M]+ 635.52002 199.4
[M]- 635.52112 199.4
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.