CID 44152416

1,2,3,4,7,8,9-heptabromodibenzofuran

Structural Information

Molecular Formula
C12HBr7O
SMILES
C1=C2C(=C(C(=C1Br)Br)Br)C3=C(O2)C(=C(C(=C3Br)Br)Br)Br
InChI
InChI=1S/C12HBr7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H
InChIKey
RFUPGXOBNPMYIM-UHFFFAOYSA-N
Compound name
1,2,3,4,7,8,9-heptabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

713.4311 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.43838 169.5
[M+Na]+ 736.42032 169.4
[M+NH4]+ 731.46492 169.6
[M+K]+ 752.39426 169.6
[M-H]- 712.42382 169.7
[M+Na-2H]- 734.40577 169.6
[M]+ 713.43055 169.6
[M]- 713.43165 169.6
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.