CID 11096934

6812-14-2

Structural Information

Molecular Formula
C16H8O3
SMILES
C1=CC=C2C=C3C=C4C(=CC3=CC2=C1)C(=O)OC4=O
InChI
InChI=1S/C16H8O3/c17-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(18)19-15/h1-8H
InChIKey
AJXNLGUENUIIRW-UHFFFAOYSA-N
Compound name
naphtho[2,3-f][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

767
Patents

248.04735 Da
Monoisotopic Mass

3.8
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