CID 5319889

Dtxsid301237691

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

COC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)OC

InChI

InChI=1S/C16H14O5/c1-19-15-6-10-5-13(21-14(10)8-16(15)20-2)9-3-11(17)7-12(18)4-9/h3-8,17-18H,1-2H3

InChIKey

MQRQKQBOYQLFAI-UHFFFAOYSA-N

Compound name

5-(5,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 286.08414 Da
Monoisotopic Mass: 3.2
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]+	287.091416	160.8
[M+Na]+	309.073358	172.2
[M-H]-	285.076864	168.4
[M+NH4]+	304.117963	177.5
[M+K]+	325.047298	169.7
[M+H-H2O]+	269.081400	154.6
[M+HCOO]-	331.082341	183.5
[M+CH3COO]-	345.097991	196.9
[M+Na-2H]-	307.058806	165.9
[M]+	286.08359142	167.8
[M]-	286.08468858	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe