CID 3044749

2-propanone, 1,3-bis(4-ethylphenoxy)-

Structural Information

Molecular Formula
C19H22O3
SMILES
CCC1=CC=C(C=C1)OCC(=O)COC2=CC=C(C=C2)CC
InChI
InChI=1S/C19H22O3/c1-3-15-5-9-18(10-6-15)21-13-17(20)14-22-19-11-7-16(4-2)8-12-19/h5-12H,3-4,13-14H2,1-2H3
InChIKey
VSHAVDZMXWUQKX-UHFFFAOYSA-N
Compound name
1,3-bis(4-ethylphenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1569 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 171.5
[M+Na]+ 321.14612 177.5
[M-H]- 297.14962 177.7
[M+NH4]+ 316.19072 186.5
[M+K]+ 337.12006 174.1
[M+H-H2O]+ 281.15416 163.1
[M+HCOO]- 343.15510 193.9
[M+CH3COO]- 357.17075 205.3
[M+Na-2H]- 319.13157 174.1
[M]+ 298.15635 176.0
[M]- 298.15745 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.