CID 641806

Centrolobofuran

Structural Information

Molecular Formula

C₁₅H₁₂O₄

SMILES

COC1=CC(=C(C=C1)C2=CC3=C(O2)C=C(C=C3)O)O

InChI

InChI=1S/C15H12O4/c1-18-11-4-5-12(13(17)8-11)15-6-9-2-3-10(16)7-14(9)19-15/h2-8,16-17H,1H3

InChIKey

XDBDADAPEFSDHG-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 256.07355 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]+	257.08083	153.1
[M+Na]+	279.06277	164.3
[M-H]-	255.06627	160.6
[M+NH4]+	274.10737	170.9
[M+K]+	295.03671	161.2
[M+H-H2O]+	239.07081	147.2
[M+HCOO]-	301.07175	176.1
[M+CH3COO]-	315.08740	167.1
[M+Na-2H]-	277.04822	159.3
[M]+	256.07300	158.0
[M]-	256.07410	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe