CID 138730666

2360830-97-1

Structural Information

Molecular Formula

C₁₈H₁₁ClO

SMILES

C1=CC=C(C=C1)C2=C3C4=C(C=C(C=C4)Cl)OC3=CC=C2

InChI

InChI=1S/C18H11ClO/c19-13-9-10-15-17(11-13)20-16-8-4-7-14(18(15)16)12-5-2-1-3-6-12/h1-11H

InChIKey

SACVFEGLNRXPOV-UHFFFAOYSA-N

Compound name

7-chloro-1-phenyldibenzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 278.04984 Da
Monoisotopic Mass: 5.9
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]+	279.05712	161.4
[M+Na]+	301.03906	173.9
[M-H]-	277.04256	171.4
[M+NH4]+	296.08366	181.1
[M+K]+	317.01300	167.6
[M+H-H2O]+	261.04710	154.9
[M+HCOO]-	323.04804	180.7
[M+CH3COO]-	337.06369	175.5
[M+Na-2H]-	299.02451	169.0
[M]+	278.04929	167.0
[M]-	278.05039	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe