CID 1774154

9-(biphenyl-4-yl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1h)-one

Structural Information

Molecular Formula
C26H18O3
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=C4C(=C3)OC=C4C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C26H18O3/c27-26-20-8-4-7-19(20)21-13-22-23(15-28-24(22)14-25(21)29-26)18-11-9-17(10-12-18)16-5-2-1-3-6-16/h1-3,5-6,9-15H,4,7-8H2
InChIKey
SULWHQQIHAFFNI-UHFFFAOYSA-N
Compound name
14-(4-phenylphenyl)-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12558 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13286 187.9
[M+Na]+ 401.11480 199.1
[M-H]- 377.11830 202.9
[M+NH4]+ 396.15940 203.4
[M+K]+ 417.08874 194.3
[M+H-H2O]+ 361.12284 180.5
[M+HCOO]- 423.12378 208.6
[M+CH3COO]- 437.13943 200.4
[M+Na-2H]- 399.10025 190.9
[M]+ 378.12503 192.6
[M]- 378.12613 192.6
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

No patent data available for this compound.