CID 55125

2,6,7-trichlorodibenzofuran

Structural Information

Molecular Formula
C12H5Cl3O
SMILES
C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C=C3)Cl)Cl
InChI
InChI=1S/C12H5Cl3O/c13-6-1-4-10-8(5-6)7-2-3-9(14)11(15)12(7)16-10/h1-5H
InChIKey
YTZWNIQGGIJHJX-UHFFFAOYSA-N
Compound name
2,6,7-trichlorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1
Patents

269.9406 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.94788 153.6
[M+Na]+ 292.92982 168.3
[M-H]- 268.93332 158.9
[M+NH4]+ 287.97442 174.6
[M+K]+ 308.90376 161.9
[M+H-H2O]+ 252.93786 150.2
[M+HCOO]- 314.93880 162.8
[M+CH3COO]- 328.95445 167.4
[M+Na-2H]- 290.91527 159.6
[M]+ 269.94005 161.2
[M]- 269.94115 161.2
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