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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	353.02614	175.8
[M+Na]+	375.00808	194.0
[M+NH4]+	370.05268	187.1
[M+K]+	390.98202	184.4
[M-H]-	351.01158	183.0
[M+Na-2H]-	372.99353	182.9
[M]+	352.01831	181.7
[M]-	352.01941	181.7

Literature stripe

literature stripe

Patent stripe

patents stripe