CID 483587

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

Structural Information

Molecular Formula
C15H11Cl3O
SMILES
CC(C)C1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3O/c1-7(2)10-3-8(16)4-11-14-12(18)5-9(17)6-13(14)19-15(10)11/h3-7H,1-2H3
InChIKey
FTBOBBMGWSWPNY-UHFFFAOYSA-N
Compound name
1,3,8-trichloro-6-propan-2-yldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

311.98755 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.99483 167.2
[M+Na]+ 334.97677 181.1
[M-H]- 310.98027 172.5
[M+NH4]+ 330.02137 186.9
[M+K]+ 350.95071 174.6
[M+H-H2O]+ 294.98481 163.7
[M+HCOO]- 356.98575 174.5
[M+CH3COO]- 371.00140 180.0
[M+Na-2H]- 332.96222 169.9
[M]+ 311.98700 175.7
[M]- 311.98810 175.7
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.