CID 78248

Tetradecanophenone

Structural Information

Molecular Formula

C₂₀H₃₂O

SMILES

CCCCCCCCCCCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3

InChIKey

LXUIUVLDNRQBQJ-UHFFFAOYSA-N

Compound name

1-phenyltetradecan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 456
Patents: 288.24533 Da
Monoisotopic Mass: 7.8
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]+	289.252606	177.2
[M+Na]+	311.234548	179.9
[M-H]-	287.238054	178.7
[M+NH4]+	306.279153	192.7
[M+K]+	327.208488	175.6
[M+H-H2O]+	271.242590	169.4
[M+HCOO]-	333.243531	197.5
[M+CH3COO]-	347.259181	206.5
[M+Na-2H]-	309.219996	178.1
[M]+	288.24478142	181.2
[M]-	288.24587858	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe