CID 5709142

2'-hydroxy-2-methoxychalcone

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

COC1=CC=CC=C1/C=C/C(=O)C2=CC=CC=C2O

InChI

InChI=1S/C16H14O3/c1-19-16-9-5-2-6-12(16)10-11-15(18)13-7-3-4-8-14(13)17/h2-11,17H,1H3/b11-10+

InChIKey

SNTIPKTZVAKPOX-ZHACJKMWSA-N

Compound name

(E)-1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 13
Patents: 254.0943 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]+	255.10158	158.0
[M+Na]+	277.08352	172.1
[M+NH4]+	272.12812	165.6
[M+K]+	293.05746	164.8
[M-H]-	253.08702	161.5
[M+Na-2H]-	275.06897	166.3
[M]+	254.09375	161.0
[M]-	254.09485	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe