CID 55290

1,2,7,8-tetrabromodibenzofuran

Structural Information

Molecular Formula
C12H4Br4O
SMILES
C1=CC(=C(C2=C1OC3=CC(=C(C=C32)Br)Br)Br)Br
InChI
InChI=1S/C12H4Br4O/c13-6-1-2-9-11(12(6)16)5-3-7(14)8(15)4-10(5)17-9/h1-4H
InChIKey
CUYJKQXKKDTMCW-UHFFFAOYSA-N
Compound name
1,2,7,8-tetrabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

479.6996 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.70688 155.9
[M+Na]+ 502.68882 162.9
[M-H]- 478.69232 161.2
[M+NH4]+ 497.73342 166.8
[M+K]+ 518.66276 152.0
[M+H-H2O]+ 462.69686 174.7
[M+HCOO]- 524.69780 161.9
[M+CH3COO]- 538.71345 164.0
[M+Na-2H]- 500.67427 159.0
[M]+ 479.69905 195.8
[M]- 479.70015 195.8
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.