CID 153851

Dibenzofuran, hexabromodichloro-

Structural Information

Molecular Formula
C12Br6Cl2O
SMILES
C12=C(C(=C(C(=C1Cl)Cl)Br)Br)OC3=C2C(=C(C(=C3Br)Br)Br)Br
InChI
InChI=1S/C12Br6Cl2O/c13-3-1-2-9(19)10(20)6(16)8(18)12(2)21-11(1)7(17)5(15)4(3)14
InChIKey
MVBWLVNSRHZQIH-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7-hexabromo-8,9-dichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

703.4426 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.44988 169.8
[M+Na]+ 726.43182 169.1
[M+NH4]+ 721.47642 170.0
[M+K]+ 742.40576 170.0
[M-H]- 702.43532 170.2
[M+Na-2H]- 724.41727 170.0
[M]+ 703.44205 170.0
[M]- 703.44315 170.0
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.