CID 260489

9-phenyl-3a,4-dihydro-3h-naphtho(2,3-c)furan-1-one

Structural Information

Molecular Formula
C18H14O2
SMILES
C1C2COC(=O)C2=C(C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C18H14O2/c19-18-17-14(11-20-18)10-13-8-4-5-9-15(13)16(17)12-6-2-1-3-7-12/h1-9,14H,10-11H2
InChIKey
MOXSMBHPLBWSLM-UHFFFAOYSA-N
Compound name
4-phenyl-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09937 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10665 157.4
[M+Na]+ 285.08859 166.1
[M-H]- 261.09209 166.7
[M+NH4]+ 280.13319 176.5
[M+K]+ 301.06253 161.9
[M+H-H2O]+ 245.09663 150.4
[M+HCOO]- 307.09757 177.6
[M+CH3COO]- 321.11322 170.3
[M+Na-2H]- 283.07404 162.9
[M]+ 262.09882 157.1
[M]- 262.09992 157.1
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

No patent data available for this compound.