CID 2724917

111195-33-6

Structural Information

Molecular Formula

C₂₄H₄₀O₃

SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)C)OCCCCCCCC

InChI

InChI=1S/C24H40O3/c1-4-6-8-10-12-14-18-26-23-17-16-22(21(3)25)20-24(23)27-19-15-13-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3

InChIKey

RCCOBAWJEWCPAR-UHFFFAOYSA-N

Compound name

1-(3,4-dioctoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 376.29776 Da
Monoisotopic Mass: 8.4
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]+	377.305036	200.5
[M+Na]+	399.286978	203.1
[M-H]-	375.290484	201.9
[M+NH4]+	394.331583	212.8
[M+K]+	415.260918	199.1
[M+H-H2O]+	359.295020	191.9
[M+HCOO]-	421.295961	219.8
[M+CH3COO]-	435.311611	224.4
[M+Na-2H]-	397.272426	197.9
[M]+	376.29721142	209.6
[M]-	376.29830858	209.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe