CID 5825979

Schembl14464479

Structural Information

Molecular Formula

C₁₄H₁₂O₄

SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CO2)O

InChI

InChI=1S/C14H12O4/c1-17-11-4-6-12(14(16)9-11)13(15)7-5-10-3-2-8-18-10/h2-9,16H,1H3/b7-5+

InChIKey

HYFUNIRTCZNDOT-FNORWQNLSA-N

Compound name

(E)-3-(furan-2-yl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 244.07356 Da
Monoisotopic Mass: 3.2
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]+	245.08084	152.7
[M+Na]+	267.06278	160.9
[M-H]-	243.06628	159.3
[M+NH4]+	262.10738	169.8
[M+K]+	283.03672	158.8
[M+H-H2O]+	227.07082	146.4
[M+HCOO]-	289.07176	175.7
[M+CH3COO]-	303.08741	188.4
[M+Na-2H]-	265.04823	156.2
[M]+	244.07301	155.7
[M]-	244.07411	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe