CID 156743

Isoferreirin

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

COC1=C(C=CC(=C1)O)C2COC3=CC(=CC(=C3C2=O)O)O

InChI

InChI=1S/C16H14O6/c1-21-13-5-8(17)2-3-10(13)11-7-22-14-6-9(18)4-12(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3

InChIKey

VODZWHSRITUHNI-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-3-(4-hydroxy-2-methoxyphenyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 302.07904 Da
Monoisotopic Mass: 2.5
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]+	303.086316	165.0
[M+Na]+	325.068258	174.0
[M-H]-	301.071764	170.4
[M+NH4]+	320.112863	178.2
[M+K]+	341.042198	171.5
[M+H-H2O]+	285.076300	157.9
[M+HCOO]-	347.077241	181.4
[M+CH3COO]-	361.092891	199.2
[M+Na-2H]-	323.053706	168.8
[M]+	302.07849142	166.4
[M]-	302.07958858	166.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.