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

5
Annotation Hits: 103
References: 1053
Patents: 224.08372 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.090996	149.3
[M+Na]+	247.072938	156.4
[M-H]-	223.076444	154.7
[M+NH4]+	242.117543	166.5
[M+K]+	263.046878	151.7
[M+H-H2O]+	207.080980	142.3
[M+HCOO]-	269.081921	171.8
[M+CH3COO]-	283.097571	186.2
[M+Na-2H]-	245.058386	154.5
[M]+	224.08317142	148.0
[M]-	224.08426858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe