CID 2756707

677326-79-3

Structural Information

Molecular Formula
C17H16O3
SMILES
CCOC(=O)CC(=O)C1=CC=CC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H16O3/c1-2-20-17(19)12-16(18)15-10-6-9-14(11-15)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
InChIKey
GGPCOTQUFRKOJH-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-3-(3-phenylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10995 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11723 161.6
[M+Na]+ 291.09917 167.7
[M-H]- 267.10267 168.0
[M+NH4]+ 286.14377 177.4
[M+K]+ 307.07311 164.6
[M+H-H2O]+ 251.10721 153.7
[M+HCOO]- 313.10815 184.0
[M+CH3COO]- 327.12380 197.6
[M+Na-2H]- 289.08462 164.9
[M]+ 268.10940 163.6
[M]- 268.11050 163.6
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

No patent data available for this compound.