CID 101556

2-hydroxy-1,3-diphenylpropan-1-one

Structural Information

Molecular Formula
C15H14O2
SMILES
C1=CC=C(C=C1)CC(C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C15H14O2/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKey
XTJIDQBILYRXBC-UHFFFAOYSA-N
Compound name
2-hydroxy-1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

226.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 151.7
[M+Na]+ 249.08860 165.4
[M+NH4]+ 244.13320 160.3
[M+K]+ 265.06254 158.2
[M-H]- 225.09210 155.7
[M+Na-2H]- 247.07405 160.9
[M]+ 226.09883 154.8
[M]- 226.09993 154.8
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