CID 5280371

Bergaptol

Structural Information

Molecular Formula

C₁₁H₆O₄

SMILES

C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O

InChI

InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H

InChIKey

GIJHDGJRTUSBJR-UHFFFAOYSA-N

Compound name

4-hydroxyfuro[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 50
References: 634
Patents: 202.02661 Da
Monoisotopic Mass: 2.0
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]+	203.03389	135.0
[M+Na]+	225.01583	151.0
[M+NH4]+	220.06043	144.3
[M+K]+	240.98977	147.1
[M-H]-	201.01933	140.2
[M+Na-2H]-	223.00128	141.1
[M]+	202.02606	138.9
[M]-	202.02716	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe