CID 153880

4-bromo-2,3,7,8-tetrachlorodibenzofuran

Structural Information

Molecular Formula
C12H3BrCl4O
SMILES
C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Br)Cl)Cl
InChI
InChI=1S/C12H3BrCl4O/c13-10-11(17)8(16)2-5-4-1-6(14)7(15)3-9(4)18-12(5)10/h1-3H
InChIKey
JVQVVDNPQHZSNJ-UHFFFAOYSA-N
Compound name
4-bromo-2,3,7,8-tetrachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

381.81213 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.81941 169.0
[M+Na]+ 404.80135 187.5
[M-H]- 380.80485 175.5
[M+NH4]+ 399.84595 189.2
[M+K]+ 420.77529 173.9
[M+H-H2O]+ 364.80939 171.9
[M+HCOO]- 426.81033 171.0
[M+CH3COO]- 440.82598 182.9
[M+Na-2H]- 402.78680 173.3
[M]+ 381.81158 192.8
[M]- 381.81268 192.8
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.