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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 150.4
[M+Na]+ 263.06786 160.9
[M-H]- 239.07136 157.4
[M+NH4]+ 258.11246 171.2
[M+K]+ 279.04180 158.3
[M+H-H2O]+ 223.07590 145.2
[M+HCOO]- 285.07684 171.0
[M+CH3COO]- 299.09249 194.9
[M+Na-2H]- 261.05331 155.0
[M]+ 240.07809 153.8
[M]- 240.07919 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.