CID 105772

2-(2-phenoxyethoxy)ethyl benzoate

Structural Information

Molecular Formula
C17H18O4
SMILES
C1=CC=C(C=C1)C(=O)OCCOCCOC2=CC=CC=C2
InChI
InChI=1S/C17H18O4/c18-17(15-7-3-1-4-8-15)21-14-12-19-11-13-20-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
TZHGOJUYMUTMTF-UHFFFAOYSA-N
Compound name
2-(2-phenoxyethoxy)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

286.1205 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 166.8
[M+Na]+ 309.10972 180.0
[M+NH4]+ 304.15432 174.2
[M+K]+ 325.08366 172.2
[M-H]- 285.11322 170.3
[M+Na-2H]- 307.09517 175.4
[M]+ 286.11995 169.6
[M]- 286.12105 169.6
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

patents stripe