CID 5080759

Phenoxymethyl ether

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

C1=CC=C(C=C1)OCOCOC2=CC=CC=C2

InChI

InChI=1S/C14H14O3/c1-3-7-13(8-4-1)16-11-15-12-17-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

ZPVJVNSMBCNDCF-UHFFFAOYSA-N

Compound name

phenoxymethoxymethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 230.0943 Da
Monoisotopic Mass: 3.6
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	156.2
[M-H]-	229.08702	156.0
[M+NH4]+	248.12812	167.1
[M+K]+	269.05746	153.9
[M+H-H2O]+	213.09156	141.8
[M+HCOO]-	275.09250	174.8
[M+CH3COO]-	289.10815	188.2
[M+Na-2H]-	251.06897	157.8
[M]+	230.09375	153.0
[M]-	230.09485	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe