CID 183016

Oxanthrene, 2,3,7-tribromo-8-chloro-

Structural Information

Molecular Formula
C12H4Br3ClO2
SMILES
C1=C2C(=CC(=C1Cl)Br)OC3=CC(=C(C=C3O2)Br)Br
InChI
InChI=1S/C12H4Br3ClO2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
InChIKey
VAPXVPBAPGEGAW-UHFFFAOYSA-N
Compound name
2,3,7-tribromo-8-chlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.745 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.752276 155.9
[M+Na]+ 474.734218 165.0
[M-H]- 450.737724 163.2
[M+NH4]+ 469.778823 169.2
[M+K]+ 490.708158 152.0
[M+H-H2O]+ 434.742260 171.5
[M+HCOO]- 496.743201 161.2
[M+CH3COO]- 510.758851 166.9
[M+Na-2H]- 472.719666 162.1
[M]+ 451.74445142 199.2
[M]- 451.74554858 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.