CID 91820467

Griseophenone d

Structural Information

Molecular Formula

C₁₅H₁₄O₆

SMILES

CC1=CC(=CC(=C1C(=O)C2=C(C=C(C=C2O)OC)O)O)O

InChI

InChI=1S/C15H14O6/c1-7-3-8(16)4-10(17)13(7)15(20)14-11(18)5-9(21-2)6-12(14)19/h3-6,16-19H,1-2H3

InChIKey

MHIAEHHUBPESRR-UHFFFAOYSA-N

Compound name

(2,6-dihydroxy-4-methoxyphenyl)-(2,4-dihydroxy-6-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 290.07904 Da
Monoisotopic Mass: 2.7
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	161.8
[M+Na]+	313.068258	170.9
[M-H]-	289.071764	164.8
[M+NH4]+	308.112863	175.2
[M+K]+	329.042198	167.6
[M+H-H2O]+	273.076300	155.4
[M+HCOO]-	335.077241	180.0
[M+CH3COO]-	349.092891	196.0
[M+Na-2H]-	311.053706	162.2
[M]+	290.07849142	163.7
[M]-	290.07958858	163.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.