CID 3791643

6-methyl-4-phenylchroman-2-one

Structural Information

Molecular Formula

C₁₆H₁₄O₂

SMILES

CC1=CC2=C(C=C1)OC(=O)CC2C3=CC=CC=C3

InChI

InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3

InChIKey

SUHIZPDCJOQZLN-UHFFFAOYSA-N

Compound name

6-methyl-4-phenyl-3,4-dihydrochromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 168
Patents: 238.09938 Da
Monoisotopic Mass: 3.5
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]+	239.10666	152.0
[M+Na]+	261.08860	168.5
[M+NH4]+	256.13320	162.2
[M+K]+	277.06254	159.9
[M-H]-	237.09210	159.3
[M+Na-2H]-	259.07405	160.9
[M]+	238.09883	156.7
[M]-	238.09993	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe