CID 263122

3,4-dihydro-3,3-diphenyl-1h-2-benzopyran-1-one

Structural Information

Molecular Formula
C21H16O2
SMILES
C1C2=CC=CC=C2C(=O)OC1(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H16O2/c22-20-19-14-8-7-9-16(19)15-21(23-20,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2
InChIKey
OXKYDSBSPQCICV-UHFFFAOYSA-N
Compound name
3,3-diphenyl-4H-isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.11502 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12230 171.0
[M+Na]+ 323.10424 178.5
[M-H]- 299.10774 181.9
[M+NH4]+ 318.14884 186.7
[M+K]+ 339.07818 174.0
[M+H-H2O]+ 283.11228 161.1
[M+HCOO]- 345.11322 190.7
[M+CH3COO]- 359.12887 182.5
[M+Na-2H]- 321.08969 178.5
[M]+ 300.11447 169.1
[M]- 300.11557 169.1
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