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 181.0
[M+Na]+ 736.42032 191.8
[M-H]- 712.42382 185.0
[M+NH4]+ 731.46492 185.9
[M+K]+ 752.39426 182.5
[M+H-H2O]+ 696.42836 190.8
[M+HCOO]- 758.42930 183.5
[M+CH3COO]- 772.44495 182.8
[M+Na-2H]- 734.40577 178.8
[M]+ 713.43055 194.1
[M]- 713.43165 194.1
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.