CID 176052

Heptabromodibenzofuran

Structural Information

Molecular Formula
C12HBr7O
SMILES
C1=C2C3=C(C(=C(C(=C3Br)Br)Br)Br)OC2=C(C(=C1Br)Br)Br
InChI
InChI=1S/C12HBr7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H
InChIKey
JISOUFWSRUCDMJ-UHFFFAOYSA-N
Compound name
1,2,3,4,6,7,8-heptabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3
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

patents stripe