CID 12418339

58110-89-7

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

CC1=CC(=C(C=C1)C(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2/c1-12-8-9-15(13(2)17)16(10-12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3

InChIKey

CLKKXBAHOASWCP-UHFFFAOYSA-N

Compound name

1-(4-methyl-2-phenylmethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 240.11504 Da
Monoisotopic Mass: 3.4
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]+	241.122316	153.9
[M+Na]+	263.104258	161.5
[M-H]-	239.107764	160.9
[M+NH4]+	258.148863	171.5
[M+K]+	279.078198	158.2
[M+H-H2O]+	223.112300	146.5
[M+HCOO]-	285.113241	177.3
[M+CH3COO]-	299.128891	194.4
[M+Na-2H]-	261.089706	158.3
[M]+	240.11449142	156.1
[M]-	240.11558858	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe