CID 226748

Ethyl diphenylacetate

Structural Information

Molecular Formula
C16H16O2
SMILES
CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
PYPHPZOQIVEWHN-UHFFFAOYSA-N
Compound name
ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

240.11504 Da
Monoisotopic Mass

3.8
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