CID 176111

2,8-dibromo-3,7-dichlorodibenzo-p-dioxin

Structural Information

Molecular Formula
C12H4Br2Cl2O2
SMILES
C1=C2C(=CC(=C1Cl)Br)OC3=CC(=C(C=C3O2)Cl)Br
InChI
InChI=1S/C12H4Br2Cl2O2/c13-5-1-9-11(3-7(5)15)18-12-4-8(16)6(14)2-10(12)17-9/h1-4H
InChIKey
MYVLLYZAJKDZST-UHFFFAOYSA-N
Compound name
2,8-dibromo-3,7-dichlorodibenzo-p-dioxin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

407.7955 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.80278 161.5
[M+Na]+ 430.78472 175.7
[M-H]- 406.78822 170.5
[M+NH4]+ 425.82932 178.5
[M+K]+ 446.75866 161.1
[M+H-H2O]+ 390.79276 170.8
[M+HCOO]- 452.79370 166.9
[M+CH3COO]- 466.80935 175.2
[M+Na-2H]- 428.77017 169.5
[M]+ 407.79495 199.6
[M]- 407.79605 199.6
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