CID 153905

2,3,4,6,7-pentabromodibenzofuran

Structural Information

Molecular Formula
C12H3Br5O
SMILES
C1=CC(=C(C2=C1C3=CC(=C(C(=C3O2)Br)Br)Br)Br)Br
InChI
InChI=1S/C12H3Br5O/c13-6-2-1-4-5-3-7(14)8(15)10(17)12(5)18-11(4)9(6)16/h1-3H
InChIKey
DOMLPUMLHHUETA-UHFFFAOYSA-N
Compound name
2,3,4,6,7-pentabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

557.6101 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.61738 166.9
[M+Na]+ 580.59932 174.3
[M-H]- 556.60282 171.1
[M+NH4]+ 575.64392 174.5
[M+K]+ 596.57326 164.6
[M+H-H2O]+ 540.60736 184.7
[M+HCOO]- 602.60830 170.5
[M+CH3COO]- 616.62395 171.9
[M+Na-2H]- 578.58477 167.3
[M]+ 557.60955 198.1
[M]- 557.61065 198.1
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.