CID 10859095

Ethyl 2-(4-phenoxyphenyl)lactate

Structural Information

Molecular Formula
C17H18O4
SMILES
CCOC(=O)C(C)(C1=CC=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C17H18O4/c1-3-20-16(18)17(2,19)13-9-11-15(12-10-13)21-14-7-5-4-6-8-14/h4-12,19H,3H2,1-2H3
InChIKey
NFJAMPAQUJUQEH-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-2-(4-phenoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

286.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.127776 165.9
[M+Na]+ 309.109718 171.9
[M-H]- 285.113224 171.2
[M+NH4]+ 304.154323 180.6
[M+K]+ 325.083658 169.3
[M+H-H2O]+ 269.117760 158.5
[M+HCOO]- 331.118701 186.3
[M+CH3COO]- 345.134351 197.5
[M+Na-2H]- 307.095166 170.9
[M]+ 286.11995142 168.4
[M]- 286.12104858 168.4
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