CID 3286789

520-17-2

Structural Information

Molecular Formula

C₁₅H₁₄O₆

SMILES

C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O

InChI

InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H

InChIKey

FSVMLWOLZHGCQX-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 312
Patents: 290.07904 Da
Monoisotopic Mass: 0.7
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]+	291.086316	162.6
[M+Na]+	313.068258	170.8
[M-H]-	289.071764	165.4
[M+NH4]+	308.112863	174.9
[M+K]+	329.042198	167.5
[M+H-H2O]+	273.076300	156.2
[M+HCOO]-	335.077241	176.0
[M+CH3COO]-	349.092891	192.8
[M+Na-2H]-	311.053706	166.0
[M]+	290.07849142	160.9
[M]-	290.07958858	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe