CID 6708739

69471-29-0

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)O

InChI

InChI=1S/C15H14O5/c1-2-20-10-5-3-9(4-6-10)13(17)11-7-8-12(16)15(19)14(11)18/h3-8,16,18-19H,2H2,1H3

InChIKey

VYIBOCHDJVESIU-UHFFFAOYSA-N

Compound name

(4-ethoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 26
Patents: 274.08414 Da
Monoisotopic Mass: 3.1
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]+	275.091416	159.2
[M+Na]+	297.073358	167.2
[M-H]-	273.076864	162.8
[M+NH4]+	292.117963	173.5
[M+K]+	313.047298	163.8
[M+H-H2O]+	257.081400	152.4
[M+HCOO]-	319.082341	178.9
[M+CH3COO]-	333.097991	193.1
[M+Na-2H]-	295.058806	161.4
[M]+	274.08359142	160.6
[M]-	274.08468858	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe