CID 483588

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

Structural Information

Molecular Formula
C15H11Cl3O
SMILES
CCCC1=C2C(=CC(=C1)Cl)C3=C(O2)C=C(C=C3Cl)Cl
InChI
InChI=1S/C15H11Cl3O/c1-2-3-8-4-9(16)5-11-14-12(18)6-10(17)7-13(14)19-15(8)11/h4-7H,2-3H2,1H3
InChIKey
XBUCLYWPIIEAFS-UHFFFAOYSA-N
Compound name
1,3,8-trichloro-6-propyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

311.98755 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.99483 168.0
[M+Na]+ 334.97677 182.2
[M-H]- 310.98027 173.1
[M+NH4]+ 330.02137 187.7
[M+K]+ 350.95071 175.2
[M+H-H2O]+ 294.98481 164.2
[M+HCOO]- 356.98575 176.1
[M+CH3COO]- 371.00140 180.8
[M+Na-2H]- 332.96222 171.6
[M]+ 311.98700 176.9
[M]- 311.98810 176.9
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

No patent data available for this compound.