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]+ 299.127776 169.4
[M+Na]+ 321.109718 174.9
[M-H]- 297.113224 175.6
[M+NH4]+ 316.154323 183.9
[M+K]+ 337.083658 172.3
[M+H-H2O]+ 281.117760 161.0
[M+HCOO]- 343.118701 191.6
[M+CH3COO]- 357.134351 202.7
[M+Na-2H]- 319.095166 172.2
[M]+ 298.11995142 173.2
[M]- 298.12104858 173.2
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

patents stripe