CID 65090

Xanthotoxol

Structural Information

Molecular Formula

C₁₁H₆O₄

SMILES

C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O

InChI

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

InChIKey

JWVYQQGERKEAHW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 54
References: 533
Patents: 202.02661 Da
Monoisotopic Mass: 1.6
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