CID 748172

2-acetyl-3h-benzo[f]chromen-3-one

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O

InChI

InChI=1S/C15H10O3/c1-9(16)12-8-13-11-5-3-2-4-10(11)6-7-14(13)18-15(12)17/h2-8H,1H3

InChIKey

UAMPJVJAALGMNG-UHFFFAOYSA-N

Compound name

2-acetylbenzo[f]chromen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 288
Patents: 238.06299 Da
Monoisotopic Mass: 3.1
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]+	239.07027	147.1
[M+Na]+	261.05221	158.8
[M-H]-	237.05571	154.5
[M+NH4]+	256.09681	166.0
[M+K]+	277.02615	155.9
[M+H-H2O]+	221.06025	140.4
[M+HCOO]-	283.06119	169.8
[M+CH3COO]-	297.07684	161.6
[M+Na-2H]-	259.03766	156.9
[M]+	238.06244	152.1
[M]-	238.06354	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe