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
1
Annotation Hits

0
References

47
Patents

286.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.9
[M+Na]+ 309.10972 171.9
[M-H]- 285.11322 171.2
[M+NH4]+ 304.15432 180.6
[M+K]+ 325.08366 169.3
[M+H-H2O]+ 269.11776 158.5
[M+HCOO]- 331.11870 186.3
[M+CH3COO]- 345.13435 197.5
[M+Na-2H]- 307.09517 170.9
[M]+ 286.11995 168.4
[M]- 286.12105 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