CID 142214

37845-14-0

Structural Information

Molecular Formula
C12H8O3
SMILES
C1CC2=C(C3=CC=CC=C31)C(=O)OC2=O
InChI
InChI=1S/C12H8O3/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)12(14)15-11/h1-4H,5-6H2
InChIKey
FSVOMBDSHMMPER-UHFFFAOYSA-N
Compound name
4,5-dihydrobenzo[e][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

200.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05463 137.1
[M+Na]+ 223.03657 147.3
[M-H]- 199.04007 143.8
[M+NH4]+ 218.08117 159.2
[M+K]+ 239.01051 145.0
[M+H-H2O]+ 183.04461 132.1
[M+HCOO]- 245.04555 158.4
[M+CH3COO]- 259.06120 151.7
[M+Na-2H]- 221.02202 144.3
[M]+ 200.04680 138.2
[M]- 200.04790 138.2
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.