CID 3059723

77083-95-5

Structural Information

Molecular Formula

C₁₉H₂₂O₃

SMILES

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(=O)C

InChI

InChI=1S/C19H22O3/c1-4-21-17-10-6-15(7-11-17)19(14(3)20)16-8-12-18(13-9-16)22-5-2/h6-13,19H,4-5H2,1-3H3

InChIKey

OHQVZOKGYZHABU-UHFFFAOYSA-N

Compound name

1,1-bis(4-ethoxyphenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 298.1569 Da
Monoisotopic Mass: 3.9
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]+	299.16418	171.4
[M+Na]+	321.14612	177.2
[M-H]-	297.14962	177.7
[M+NH4]+	316.19072	186.3
[M+K]+	337.12006	174.3
[M+H-H2O]+	281.15416	163.1
[M+HCOO]-	343.15510	192.9
[M+CH3COO]-	357.17075	206.2
[M+Na-2H]-	319.13157	172.9
[M]+	298.15635	175.3
[M]-	298.15745	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe