CID 221772

2-ethoxyethyl 2-benzoylbenzoate

Structural Information

Molecular Formula
C18H18O4
SMILES
CCOCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18O4/c1-2-21-12-13-22-18(20)16-11-7-6-10-15(16)17(19)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey
GPEUNFZHVLTNRV-UHFFFAOYSA-N
Compound name
2-ethoxyethyl 2-benzoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 169.4
[M+Na]+ 321.10972 182.4
[M+NH4]+ 316.15432 176.3
[M+K]+ 337.08366 175.5
[M-H]- 297.11322 172.5
[M+Na-2H]- 319.09517 177.2
[M]+ 298.11995 172.0
[M]- 298.12105 172.0
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.