CID 16805603

2-benzoyl-1h-benzo[f]chromen-3(2h)-one

Structural Information

Molecular Formula

C₂₀H₁₄O₃

SMILES

C1C(C(=O)OC2=C1C3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H14O3/c21-19(14-7-2-1-3-8-14)17-12-16-15-9-5-4-6-13(15)10-11-18(16)23-20(17)22/h1-11,17H,12H2

InChIKey

ZSSLJXUNDUZGRR-UHFFFAOYSA-N

Compound name

2-benzoyl-1,2-dihydrobenzo[f]chromen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 302.0943 Da
Monoisotopic Mass: 4.5
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]+	303.10158	167.9
[M+Na]+	325.08352	184.6
[M+NH4]+	320.12812	177.6
[M+K]+	341.05746	175.8
[M-H]-	301.08702	175.3
[M+Na-2H]-	323.06897	176.1
[M]+	302.09375	172.6
[M]-	302.09485	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe