CID 483586

1,3,8-trichloro-6-ethyl-dibenzofuran

Structural Information

Molecular Formula
C14H9Cl3O
SMILES
CCC1=C2C(=CC(=C1)Cl)C3=C(O2)C=C(C=C3Cl)Cl
InChI
InChI=1S/C14H9Cl3O/c1-2-7-3-8(15)4-10-13-11(17)5-9(16)6-12(13)18-14(7)10/h3-6H,2H2,1H3
InChIKey
LYNXFANHQJOIDJ-UHFFFAOYSA-N
Compound name
1,3,8-trichloro-6-ethyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

297.9719 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.97918 163.2
[M+Na]+ 320.96112 177.8
[M-H]- 296.96462 168.5
[M+NH4]+ 316.00572 183.4
[M+K]+ 336.93506 171.0
[M+H-H2O]+ 280.96916 159.6
[M+HCOO]- 342.97010 171.7
[M+CH3COO]- 356.98575 176.4
[M+Na-2H]- 318.94657 167.4
[M]+ 297.97135 171.8
[M]- 297.97245 171.8
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

patents stripe