CID 1857121

6-benzyl-3-(4-fluorophenyl)-5,9-dimethyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C26H19FO3
SMILES
CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C4=CC=C(C=C4)F)C)CC5=CC=CC=C5
InChI
InChI=1S/C26H19FO3/c1-15-20-13-22-23(18-8-10-19(27)11-9-18)14-29-24(22)16(2)25(20)30-26(28)21(15)12-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3
InChIKey
CSQNRWTWRPIAKV-UHFFFAOYSA-N
Compound name
6-benzyl-3-(4-fluorophenyl)-5,9-dimethylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.13184 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13912 198.2
[M+Na]+ 421.12106 211.1
[M-H]- 397.12456 211.5
[M+NH4]+ 416.16566 210.9
[M+K]+ 437.09500 206.1
[M+H-H2O]+ 381.12910 188.2
[M+HCOO]- 443.13004 218.6
[M+CH3COO]- 457.14569 210.3
[M+Na-2H]- 419.10651 200.6
[M]+ 398.13129 204.5
[M]- 398.13239 204.5
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.