CID 561253

5586-92-5

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

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

InChI

InChI=1S/C16H16O2/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3

InChIKey

NNFOTEQKNPUXGR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 240.11504 Da
Monoisotopic Mass: 2.9
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	154.6
[M+Na]+	263.104258	161.2
[M-H]-	239.107764	161.1
[M+NH4]+	258.148863	171.8
[M+K]+	279.078198	157.9
[M+H-H2O]+	223.112300	147.0
[M+HCOO]-	285.113241	178.0
[M+CH3COO]-	299.128891	193.2
[M+Na-2H]-	261.089706	159.7
[M]+	240.11449142	156.3
[M]-	240.11558858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe