CID 4984012

53012-35-4

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

CC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O3/c1-13(17)11-18-15-7-9-16(10-8-15)19-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3

InChIKey

HDRWIUBKALJNBT-UHFFFAOYSA-N

Compound name

1-(4-phenylmethoxyphenoxy)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 256.10995 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]+	257.11723	158.5
[M+Na]+	279.09917	172.7
[M+NH4]+	274.14377	166.7
[M+K]+	295.07311	165.0
[M-H]-	255.10267	162.7
[M+Na-2H]-	277.08462	167.7
[M]+	256.10940	161.8
[M]-	256.11050	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe