CID 178939

Eriobofuran

Structural Information

Molecular Formula

C₁₄H₁₂O₄

SMILES

COC1=C(C(=C2C(=C1)C3=CC=CC=C3O2)OC)O

InChI

InChI=1S/C14H12O4/c1-16-11-7-9-8-5-3-4-6-10(8)18-13(9)14(17-2)12(11)15/h3-7,15H,1-2H3

InChIKey

IPAVEOUAXMIIKX-UHFFFAOYSA-N

Compound name

2,4-dimethoxydibenzofuran-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 11
Patents: 244.07356 Da
Monoisotopic Mass: 3.3
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]+	245.08084	149.2
[M+Na]+	267.06278	161.3
[M-H]-	243.06628	155.7
[M+NH4]+	262.10738	169.5
[M+K]+	283.03672	159.2
[M+H-H2O]+	227.07082	143.9
[M+HCOO]-	289.07176	172.4
[M+CH3COO]-	303.08741	164.0
[M+Na-2H]-	265.04823	157.1
[M]+	244.07301	156.8
[M]-	244.07411	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe