CID 3059723

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.164176 171.4
[M+Na]+ 321.146118 177.2
[M-H]- 297.149624 177.7
[M+NH4]+ 316.190723 186.3
[M+K]+ 337.120058 174.3
[M+H-H2O]+ 281.154160 163.1
[M+HCOO]- 343.155101 192.9
[M+CH3COO]- 357.170751 206.2
[M+Na-2H]- 319.131566 172.9
[M]+ 298.15635142 175.3
[M]- 298.15744858 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe