CID 170874

50632-57-0

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

COC1(C(=O)C(=CO1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H14O3/c1-19-17(14-10-6-3-7-11-14)16(18)15(12-20-17)13-8-4-2-5-9-13/h2-12H,1H3

InChIKey

BLWINLJDTOJSRU-UHFFFAOYSA-N

Compound name

2-methoxy-2,4-diphenylfuran-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 405
Patents: 266.0943 Da
Monoisotopic Mass: 3.2
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]+	267.101576	158.7
[M+Na]+	289.083518	167.5
[M-H]-	265.087024	169.8
[M+NH4]+	284.128123	177.3
[M+K]+	305.057458	165.0
[M+H-H2O]+	249.091560	151.4
[M+HCOO]-	311.092501	182.9
[M+CH3COO]-	325.108151	172.4
[M+Na-2H]-	287.068966	164.4
[M]+	266.09375142	160.9
[M]-	266.09484858	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe