CID 73845

1467-40-9

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

C1=CC=C(C=C1)C(=O)CC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H14O3/c18-15(11-16(19)13-7-3-1-4-8-13)12-17(20)14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

MUNGMRPYTCHBFX-UHFFFAOYSA-N

Compound name

1,5-diphenylpentane-1,3,5-trione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 521
Patents: 266.0943 Da
Monoisotopic Mass: 3.0
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]+	267.10158	160.6
[M+Na]+	289.08352	165.7
[M-H]-	265.08702	166.6
[M+NH4]+	284.12812	175.9
[M+K]+	305.05746	162.5
[M+H-H2O]+	249.09156	152.6
[M+HCOO]-	311.09250	182.1
[M+CH3COO]-	325.10815	197.2
[M+Na-2H]-	287.06897	163.4
[M]+	266.09375	161.0
[M]-	266.09485	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe