CID 231093

1-(4-methoxyphenyl)-2-phenylethan-1-one

Structural Information

Molecular Formula
C15H14O2
SMILES
COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
PLALKSRAHVYFOH-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
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 149.9
[M+Na]+ 249.08860 157.0
[M-H]- 225.09210 156.6
[M+NH4]+ 244.13320 167.7
[M+K]+ 265.06254 153.9
[M+H-H2O]+ 209.09664 142.5
[M+HCOO]- 271.09758 173.6
[M+CH3COO]- 285.11323 190.2
[M+Na-2H]- 247.07405 155.5
[M]+ 226.09883 151.2
[M]- 226.09993 151.2
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