CID 245554

5739-38-8

Structural Information

Molecular Formula
C16H16O2
SMILES
COC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-18-15-10-8-14(9-11-15)16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3
InChIKey
WMPHLIJZKDSFFR-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

72
Patents

240.11504 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.3
[M+Na]+ 263.10426 170.1
[M+NH4]+ 258.14886 164.2
[M+K]+ 279.07820 161.8
[M-H]- 239.10776 160.1
[M+Na-2H]- 261.08971 165.1
[M]+ 240.11449 158.9
[M]- 240.11559 158.9
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