CID 497537

2-isopropylnaphtho[1,2-b]furan-4,5-dione

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

CC(C)C1=CC2=C(O1)C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C15H12O3/c1-8(2)12-7-11-14(17)13(16)9-5-3-4-6-10(9)15(11)18-12/h3-8H,1-2H3

InChIKey

MZUGDSYZZTWSFG-UHFFFAOYSA-N

Compound name

2-propan-2-ylbenzo[g][1]benzofuran-4,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 240.07864 Da
Monoisotopic Mass: 2.9
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]+	241.085916	150.4
[M+Na]+	263.067858	160.9
[M-H]-	239.071364	157.4
[M+NH4]+	258.112463	171.2
[M+K]+	279.041798	158.3
[M+H-H2O]+	223.075900	145.2
[M+HCOO]-	285.076841	171.0
[M+CH3COO]-	299.092491	194.9
[M+Na-2H]-	261.053306	155.0
[M]+	240.07809142	153.8
[M]-	240.07918858	153.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.