CID 442546

2',4',6'-trihydroxy-3'-formyldihydrochalcone

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C(=C2O)C=O)O)O

InChI

InChI=1S/C16H14O5/c17-9-11-13(19)8-14(20)15(16(11)21)12(18)7-6-10-4-2-1-3-5-10/h1-5,8-9,19-21H,6-7H2

InChIKey

SDPWTOSPDBDEBQ-UHFFFAOYSA-N

Compound name

2,4,6-trihydroxy-3-(3-phenylpropanoyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 286.08414 Da
Monoisotopic Mass: 3.0
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]+	287.091416	162.6
[M+Na]+	309.073358	170.4
[M-H]-	285.076864	166.0
[M+NH4]+	304.117963	176.3
[M+K]+	325.047298	166.1
[M+H-H2O]+	269.081400	155.6
[M+HCOO]-	331.082341	182.1
[M+CH3COO]-	345.097991	195.3
[M+Na-2H]-	307.058806	164.2
[M]+	286.08359142	163.5
[M]-	286.08468858	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe