CID 3984814

3,3',4',7-tetrahydroxyflavan

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

C1C(C(OC2=C1C=CC(=C2)O)C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C15H14O5/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9/h1-4,6-7,13,15-19H,5H2

InChIKey

VFZYLYJWCROVLO-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 408
Patents: 274.08414 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]+	275.091416	159.1
[M+Na]+	297.073358	167.2
[M-H]-	273.076864	162.9
[M+NH4]+	292.117963	172.6
[M+K]+	313.047298	163.7
[M+H-H2O]+	257.081400	152.5
[M+HCOO]-	319.082341	174.0
[M+CH3COO]-	333.097991	191.0
[M+Na-2H]-	295.058806	163.5
[M]+	274.08359142	157.2
[M]-	274.08468858	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe