CID 247706

Nsc62795

Structural Information

Molecular Formula
C13H8O3
SMILES
CC1=C2C=CC3=C(C2=CC=C1)C(=O)OC3=O
InChI
InChI=1S/C13H8O3/c1-7-3-2-4-9-8(7)5-6-10-11(9)13(15)16-12(10)14/h2-6H,1H3
InChIKey
KQGXLANNQRYZRL-UHFFFAOYSA-N
Compound name
6-methylbenzo[e][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.04735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.05463 140.4
[M+Na]+ 235.03657 152.1
[M-H]- 211.04007 147.7
[M+NH4]+ 230.08117 162.4
[M+K]+ 251.01051 149.4
[M+H-H2O]+ 195.04461 135.5
[M+HCOO]- 257.04555 162.8
[M+CH3COO]- 271.06120 155.5
[M+Na-2H]- 233.02202 147.3
[M]+ 212.04680 143.7
[M]- 212.04790 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.