CID 782917

3-[(4-chlorophenyl)methoxy]benzo[c]chromen-6-one

Structural Information

Molecular Formula

C₂₀H₁₃ClO₃

SMILES

C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)OC2=O

InChI

InChI=1S/C20H13ClO3/c21-14-7-5-13(6-8-14)12-23-15-9-10-17-16-3-1-2-4-18(16)20(22)24-19(17)11-15/h1-11H,12H2

InChIKey

HQJJUJHNHSTBOW-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methoxy]benzo[c]chromen-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 336.05533 Da
Monoisotopic Mass: 5.1
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]+	337.062606	174.7
[M+Na]+	359.044548	187.1
[M-H]-	335.048054	184.6
[M+NH4]+	354.089153	190.1
[M+K]+	375.018488	181.4
[M+H-H2O]+	319.052590	166.3
[M+HCOO]-	381.053531	192.9
[M+CH3COO]-	395.069181	187.6
[M+Na-2H]-	357.029996	183.6
[M]+	336.05478142	182.6
[M]-	336.05587858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.