CID 5358381

3-(3-hydroxyphenyl)-1-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)O
InChI
InChI=1S/C15H12O2/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11,16H/b10-9+
InChIKey
FGLRWHNZUBAWJK-MDZDMXLPSA-N
Compound name
(E)-3-(3-hydroxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

376
Patents

224.08372 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 149.3
[M+Na]+ 247.07294 156.4
[M-H]- 223.07644 154.7
[M+NH4]+ 242.11754 166.5
[M+K]+ 263.04688 151.7
[M+H-H2O]+ 207.08098 142.3
[M+HCOO]- 269.08192 171.8
[M+CH3COO]- 283.09757 186.2
[M+Na-2H]- 245.05839 154.5
[M]+ 224.08317 148.0
[M]- 224.08427 148.0
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