CID 53405586

Dtxsid701213918

Structural Information

Molecular Formula

C₁₆H₁₄O₃

SMILES

COC1=CC=CC(=C1C(=O)C=CC2=CC=CC=C2)O

InChI

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

InChIKey

ZGXVPIGRFJUIEA-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
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	156.7
[M+Na]+	277.08352	164.1
[M-H]-	253.08702	162.3
[M+NH4]+	272.12812	172.9
[M+K]+	293.05746	160.0
[M+H-H2O]+	237.09156	149.5
[M+HCOO]-	299.09250	179.0
[M+CH3COO]-	313.10815	192.4
[M+Na-2H]-	275.06897	160.7
[M]+	254.09375	157.6
[M]-	254.09485	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe