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

1
Patents

298.1569 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.164176 171.5
[M+Na]+ 321.146118 177.5
[M-H]- 297.149624 177.7
[M+NH4]+ 316.190723 186.5
[M+K]+ 337.120058 174.1
[M+H-H2O]+ 281.154160 163.1
[M+HCOO]- 343.155101 193.9
[M+CH3COO]- 357.170751 205.3
[M+Na-2H]- 319.131566 174.1
[M]+ 298.15635142 176.0
[M]- 298.15744858 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

patents stripe