CID 798955

10-phenyl-1,2,3,4-tetrahydro-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C21H16O3
SMILES
C1CCC2=C(C1)C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC2=O
InChI
InChI=1S/C21H16O3/c22-21-15-9-5-4-8-14(15)16-10-17-18(13-6-2-1-3-7-13)12-23-19(17)11-20(16)24-21/h1-3,6-7,10-12H,4-5,8-9H2
InChIKey
PQMCOYZAEROLIX-UHFFFAOYSA-N
Compound name
10-phenyl-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.10995 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.117226 169.6
[M+Na]+ 339.099168 180.2
[M-H]- 315.102674 181.0
[M+NH4]+ 334.143773 186.2
[M+K]+ 355.073108 176.4
[M+H-H2O]+ 299.107210 161.8
[M+HCOO]- 361.108151 188.8
[M+CH3COO]- 375.123801 182.4
[M+Na-2H]- 337.084616 176.7
[M]+ 316.10940142 172.7
[M]- 316.11049858 172.7
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.