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 185.4
[M+Na]+ 726.43182 195.1
[M-H]- 702.43532 189.3
[M+NH4]+ 721.47642 191.1
[M+K]+ 742.40576 185.1
[M+H-H2O]+ 686.43986 198.9
[M+HCOO]- 748.44080 186.9
[M+CH3COO]- 762.45645 187.9
[M+Na-2H]- 724.41727 183.1
[M]+ 703.44205 206.2
[M]- 703.44315 206.2
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.