CID 265728

Indeno[1,2-c]isochromene-5,11-dione

Structural Information

Molecular Formula
C16H8O3
SMILES
C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)OC2=O
InChI
InChI=1S/C16H8O3/c17-14-10-6-2-3-7-11(10)15-13(14)9-5-1-4-8-12(9)16(18)19-15/h1-8H
InChIKey
HVRWJPNEHHBGGY-UHFFFAOYSA-N
Compound name
indeno[1,2-c]isochromene-5,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

82
Patents

248.04735 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05463 149.1
[M+Na]+ 271.03657 161.7
[M-H]- 247.04007 157.5
[M+NH4]+ 266.08117 170.4
[M+K]+ 287.01051 157.6
[M+H-H2O]+ 231.04461 143.1
[M+HCOO]- 293.04555 171.5
[M+CH3COO]- 307.06120 163.9
[M+Na-2H]- 269.02202 157.8
[M]+ 248.04680 153.5
[M]- 248.04790 153.5
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