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]+ 201.054626 137.1
[M+Na]+ 223.036568 147.3
[M-H]- 199.040074 143.8
[M+NH4]+ 218.081173 159.2
[M+K]+ 239.010508 145.0
[M+H-H2O]+ 183.044610 132.1
[M+HCOO]- 245.045551 158.4
[M+CH3COO]- 259.061201 151.7
[M+Na-2H]- 221.022016 144.3
[M]+ 200.04680142 138.2
[M]- 200.04789858 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

literature stripe

Patent stripe

patents stripe