CID 231092

2-(4-methoxyphenyl)acetophenone

Structural Information

Molecular Formula
C15H14O2
SMILES
COC1=CC=C(C=C1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-17-14-9-7-12(8-10-14)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
JABKESJVYSQBGF-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

205
Patents

226.09938 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 150.7
[M+Na]+ 249.08860 165.7
[M+NH4]+ 244.13320 159.8
[M+K]+ 265.06254 157.7
[M-H]- 225.09210 155.5
[M+Na-2H]- 247.07405 160.8
[M]+ 226.09883 154.4
[M]- 226.09993 154.4
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