CID 42131

2,3,4-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC=C2C(=C1)C3=CC(=C(C(=C3O2)Cl)Cl)Cl
InChI
InChI=1S/C12H5Cl3O/c13-8-5-7-6-3-1-2-4-9(6)16-12(7)11(15)10(8)14/h1-5H
InChIKey
YDLADWPBKZODCJ-UHFFFAOYSA-N
Compound name
2,3,4-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

269.9406 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.94788 150.9
[M+Na]+ 292.92982 169.8
[M+NH4]+ 287.97442 162.3
[M+K]+ 308.90376 161.3
[M-H]- 268.93332 156.2
[M+Na-2H]- 290.91527 158.6
[M]+ 269.94005 156.4
[M]- 269.94115 156.4
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