CID 4676725

2-(4-phenoxyphenoxy)ethanol

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCO

InChI

InChI=1S/C14H14O3/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9,15H,10-11H2

InChIKey

GFDTXHCIHYNABU-UHFFFAOYSA-N

Compound name

2-(4-phenoxyphenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 59
Patents: 230.0943 Da
Monoisotopic Mass: 2.7
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]+	231.10158	149.8
[M+Na]+	253.08352	156.7
[M-H]-	229.08702	155.1
[M+NH4]+	248.12812	166.8
[M+K]+	269.05746	153.6
[M+H-H2O]+	213.09156	142.4
[M+HCOO]-	275.09250	173.3
[M+CH3COO]-	289.10815	186.7
[M+Na-2H]-	251.06897	156.7
[M]+	230.09375	151.6
[M]-	230.09485	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe