CID 105772

67845-81-2

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

2
Annotation Hits: 0
References: 59
Patents: 286.1205 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.127776	166.3
[M+Na]+	309.109718	171.3
[M-H]-	285.113224	172.1
[M+NH4]+	304.154323	181.1
[M+K]+	325.083658	168.9
[M+H-H2O]+	269.117760	157.6
[M+HCOO]-	331.118701	189.7
[M+CH3COO]-	345.134351	198.5
[M+Na-2H]-	307.095166	171.4
[M]+	286.11995142	170.6
[M]-	286.12104858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe