CID 35331

1,2,3,4-tetrachlorodibenzofuran

Structural Information

Molecular Formula
C12H4Cl4O
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl4O/c13-8-7-5-3-1-2-4-6(5)17-12(7)11(16)10(15)9(8)14/h1-4H
InChIKey
AETAPIFVELRIDN-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrachlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

152
Patents

303.9016 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.90888 161.7
[M+Na]+ 326.89082 176.3
[M-H]- 302.89432 165.2
[M+NH4]+ 321.93542 180.9
[M+K]+ 342.86476 170.0
[M+H-H2O]+ 286.89886 158.7
[M+HCOO]- 348.89980 165.0
[M+CH3COO]- 362.91545 173.9
[M+Na-2H]- 324.87627 165.3
[M]+ 303.90105 168.5
[M]- 303.90215 168.5
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