CID 392175

Nsc692229

Structural Information

Molecular Formula

C₁₅H₁₂O₄

SMILES

CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O

InChI

InChI=1S/C15H12O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/h3-5,11,16H,1,6H2,2H3

InChIKey

IBEJQTNPERQUOA-UHFFFAOYSA-N

Compound name

5-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
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]+	257.080826	153.4
[M+Na]+	279.062768	163.4
[M-H]-	255.066274	158.9
[M+NH4]+	274.107373	172.8
[M+K]+	295.036708	160.2
[M+H-H2O]+	239.070810	148.8
[M+HCOO]-	301.071751	171.3
[M+CH3COO]-	315.087401	195.6
[M+Na-2H]-	277.048216	156.2
[M]+	256.07300142	154.7
[M]-	256.07409858	154.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.