CID 4417515

9-phenylnaphtho[2,3-c]furan-1(3h)-one

Structural Information

Molecular Formula
C18H12O2
SMILES
C1C2=CC3=CC=CC=C3C(=C2C(=O)O1)C4=CC=CC=C4
InChI
InChI=1S/C18H12O2/c19-18-17-14(11-20-18)10-13-8-4-5-9-15(13)16(17)12-6-2-1-3-7-12/h1-10H,11H2
InChIKey
FRMDIBKTYBDPFN-UHFFFAOYSA-N
Compound name
4-phenyl-1H-benzo[f][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

260.08374 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09102 156.4
[M+Na]+ 283.07296 166.1
[M-H]- 259.07646 166.1
[M+NH4]+ 278.11756 175.6
[M+K]+ 299.04690 161.8
[M+H-H2O]+ 243.08100 149.4
[M+HCOO]- 305.08194 178.0
[M+CH3COO]- 319.09759 169.9
[M+Na-2H]- 281.05841 162.9
[M]+ 260.08319 157.5
[M]- 260.08429 157.5
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