CID 49973

2,3,7,8-tetrabromodibenzofuran

Structural Information

Molecular Formula
C12H4Br4O
SMILES
C1=C2C3=CC(=C(C=C3OC2=CC(=C1Br)Br)Br)Br
InChI
InChI=1S/C12H4Br4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H
InChIKey
HCSRVQXNLHZQNM-UHFFFAOYSA-N
Compound name
2,3,7,8-tetrabromodibenzofuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

1
Patents

479.6996 Da
Monoisotopic Mass

6.8
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

patents stripe