CID 4061172

56961-74-1

Structural Information

Molecular Formula
C16H16O2
SMILES
CC(C1=CC=CC=C1)OC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-13(15-10-6-3-7-11-15)18-16(17)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKey
RVPFKYFDINHICG-UHFFFAOYSA-N
Compound name
1-phenylethyl 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1946
Patents

240.11504 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 155.5
[M+Na]+ 263.104258 161.0
[M-H]- 239.107764 161.7
[M+NH4]+ 258.148863 172.4
[M+K]+ 279.078198 158.1
[M+H-H2O]+ 223.112300 147.8
[M+HCOO]- 285.113241 177.9
[M+CH3COO]- 299.128891 192.3
[M+Na-2H]- 261.089706 160.0
[M]+ 240.11449142 156.1
[M]- 240.11558858 156.1
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