CID 90447

2,2-diphenylethyl acetate

Structural Information

Molecular Formula
C16H16O2
SMILES
CC(=O)OCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-13(17)18-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKey
UVPLYIFUCLNVKG-UHFFFAOYSA-N
Compound name
2,2-diphenylethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.11504 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.7
[M+Na]+ 263.10426 169.8
[M+NH4]+ 258.14886 164.5
[M+K]+ 279.07820 162.1
[M-H]- 239.10776 160.2
[M+Na-2H]- 261.08971 165.3
[M]+ 240.11449 159.1
[M]- 240.11559 159.1
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