CID 130491

125652-15-5

Structural Information

Molecular Formula
C18H15Cl3O
SMILES
C1CCC(CC1)C2=CC(=CC3=C2OC4=C3C(=CC(=C4)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3O/c19-11-6-13(10-4-2-1-3-5-10)18-14(7-11)17-15(21)8-12(20)9-16(17)22-18/h6-10H,1-5H2
InChIKey
FGPQOHFXRNGRPW-UHFFFAOYSA-N
Compound name
1,3,8-trichloro-6-cyclohexyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

10
Patents

352.01886 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.02614 180.6
[M+Na]+ 375.00808 191.9
[M-H]- 351.01158 187.5
[M+NH4]+ 370.05268 197.9
[M+K]+ 390.98202 184.5
[M+H-H2O]+ 335.01612 174.9
[M+HCOO]- 397.01706 184.9
[M+CH3COO]- 411.03271 191.3
[M+Na-2H]- 372.99353 181.5
[M]+ 352.01831 184.2
[M]- 352.01941 184.2
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