CID 638276

2'-hydroxychalcone

Structural Information

Molecular Formula
C15H12O2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+
InChIKey
AETKQQBRKSELEL-ZHACJKMWSA-N
Compound name
(E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

102
References

1030
Patents

224.08372 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09100 150.7
[M+Na]+ 247.07294 165.2
[M+NH4]+ 242.11754 159.1
[M+K]+ 263.04688 157.3
[M-H]- 223.07644 154.7
[M+Na-2H]- 245.05839 160.0
[M]+ 224.08317 153.9
[M]- 224.08427 153.9
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