CID 91819838

Chebi:193062

Structural Information

Molecular Formula

C₁₄H₁₂O₆

SMILES

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

InChI

InChI=1S/C14H12O6/c1-6-2-7(15)3-9(17)12(6)14(20)13-10(18)4-8(16)5-11(13)19/h2-5,15-19H,1H3

InChIKey

KKACYWFPFLWVTP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 276.0634 Da
Monoisotopic Mass: 2.4
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]+	277.070676	158.1
[M+Na]+	299.052618	167.1
[M-H]-	275.056124	159.8
[M+NH4]+	294.097223	171.3
[M+K]+	315.026558	163.3
[M+H-H2O]+	259.060660	152.0
[M+HCOO]-	321.061601	175.1
[M+CH3COO]-	335.077251	191.0
[M+Na-2H]-	297.038066	158.4
[M]+	276.06285142	157.7
[M]-	276.06394858	157.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.