CID 185311

Alpha-cotonefuran

Structural Information

Molecular Formula

C₁₅H₁₄O₆

SMILES

COC1=C(C=CC2=C1OC3=C(C(=C(C=C23)O)OC)OC)O

InChI

InChI=1S/C15H14O6/c1-18-13-9(16)5-4-7-8-6-10(17)14(19-2)15(20-3)12(8)21-11(7)13/h4-6,16-17H,1-3H3

InChIKey

SHQNKPHNRFEQQD-UHFFFAOYSA-N

Compound name

3,4,6-trimethoxydibenzofuran-2,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.07904 Da
Monoisotopic Mass: 2.9
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	159.9
[M+Na]+	313.068258	172.3
[M-H]-	289.071764	165.5
[M+NH4]+	308.112863	177.9
[M+K]+	329.042198	170.7
[M+H-H2O]+	273.076300	154.7
[M+HCOO]-	335.077241	181.4
[M+CH3COO]-	349.092891	199.4
[M+Na-2H]-	311.053706	165.8
[M]+	290.07849142	169.8
[M]-	290.07958858	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe