CID 86281

1,2,3,7,8-pentabromodibenzofuran

Structural Information

Molecular Formula
C12H3Br5O
SMILES
C1=C2C(=CC(=C1Br)Br)OC3=CC(=C(C(=C23)Br)Br)Br
InChI
InChI=1S/C12H3Br5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H
InChIKey
QMKPILUKNSMQTD-UHFFFAOYSA-N
Compound name
1,2,3,7,8-pentabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

557.6101 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.61738 167.2
[M+Na]+ 580.59932 165.0
[M+NH4]+ 575.64392 167.9
[M+K]+ 596.57326 168.0
[M-H]- 556.60282 168.5
[M+Na-2H]- 578.58477 167.9
[M]+ 557.60955 167.7
[M]- 557.61065 167.7
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.