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]+ 452.75228 155.9
[M+Na]+ 474.73422 165.0
[M-H]- 450.73772 163.2
[M+NH4]+ 469.77882 169.2
[M+K]+ 490.70816 152.0
[M+H-H2O]+ 434.74226 171.5
[M+HCOO]- 496.74320 161.2
[M+CH3COO]- 510.75885 166.9
[M+Na-2H]- 472.71967 162.1
[M]+ 451.74445 199.2
[M]- 451.74555 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.