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

95
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 138.7
[M+Na]+ 223.03657 152.4
[M+NH4]+ 218.08117 148.4
[M+K]+ 239.01051 147.6
[M-H]- 199.04007 142.6
[M+Na-2H]- 221.02202 143.3
[M]+ 200.04680 141.7
[M]- 200.04790 141.7
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