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

1
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 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

patents stripe