CID 70393

3,3-diphenyldihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C16H14O2
SMILES
C1COC(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14O2/c17-15-16(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
IRQJWIUKHLVISG-UHFFFAOYSA-N
Compound name
3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

111
Patents

238.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 152.7
[M+Na]+ 261.088598 160.1
[M-H]- 237.092104 163.2
[M+NH4]+ 256.133203 172.1
[M+K]+ 277.062538 157.3
[M+H-H2O]+ 221.096640 145.5
[M+HCOO]- 283.097581 175.5
[M+CH3COO]- 297.113231 166.0
[M+Na-2H]- 259.074046 158.4
[M]+ 238.09883142 151.2
[M]- 238.09992858 151.2
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

patents stripe