CID 497534

Q 98 2-isopropylnaphtho(2,3-b)furan-4,9-dione

Structural Information

Molecular Formula
C15H12O3
SMILES
CC(C)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H12O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-8H,1-2H3
InChIKey
FCFUHTATCQCHCJ-UHFFFAOYSA-N
Compound name
2-propan-2-ylbenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

240.07864 Da
Monoisotopic Mass

3.4
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

patents stripe