CID 15135259

3-phenyl-7-[4-(tetrahydrofurfuryloxy)phenyl]-1,5-dioxa-s-indacen-2,6-dione

Structural Information

Molecular Formula
C27H20O6
SMILES
C1CC(OC1)COC2=CC=C(C=C2)C3=C4C=C5C(=C(C(=O)O5)C6=CC=CC=C6)C=C4OC3=O
InChI
InChI=1S/C27H20O6/c28-26-24(16-5-2-1-3-6-16)20-13-23-21(14-22(20)32-26)25(27(29)33-23)17-8-10-18(11-9-17)31-15-19-7-4-12-30-19/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2
InChIKey
PLILWZJQAUTHSW-UHFFFAOYSA-N
Compound name
3-[4-(oxolan-2-ylmethoxy)phenyl]-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

440.12598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13326 199.3
[M+Na]+ 463.11520 208.4
[M-H]- 439.11870 217.3
[M+NH4]+ 458.15980 211.4
[M+K]+ 479.08914 207.0
[M+H-H2O]+ 423.12324 194.5
[M+HCOO]- 485.12418 219.1
[M+CH3COO]- 499.13983 211.1
[M+Na-2H]- 461.10065 197.2
[M]+ 440.12543 206.0
[M]- 440.12653 206.0
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

patents stripe