CID 84413

3-hydroxy-1,3-diphenyl-propenone

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11,16H
InChIKey
RZCYUOWKJNUVBF-UHFFFAOYSA-N
Compound name
3-hydroxy-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

224
Patents

224.08372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.090996 149.9
[M+Na]+ 247.072938 155.7
[M-H]- 223.076444 154.9
[M+NH4]+ 242.117543 166.7
[M+K]+ 263.046878 151.5
[M+H-H2O]+ 207.080980 142.8
[M+HCOO]- 269.081921 171.3
[M+CH3COO]- 283.097571 185.9
[M+Na-2H]- 245.058386 154.6
[M]+ 224.08317142 147.6
[M]- 224.08426858 147.6
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

No patent data available for this compound.