CID 37447

M-(2-phenoxyethoxy)phenol

Structural Information

Molecular Formula

C₁₄H₁₄O₃

SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)O

InChI

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

InChIKey

JZAQIRCTLGLNPD-UHFFFAOYSA-N

Compound name

3-(2-phenoxyethoxy)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 230.0943 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]+	231.101576	149.8
[M+Na]+	253.083518	156.7
[M-H]-	229.087024	155.1
[M+NH4]+	248.128123	166.8
[M+K]+	269.057458	153.6
[M+H-H2O]+	213.091560	142.4
[M+HCOO]-	275.092501	173.3
[M+CH3COO]-	289.108151	186.7
[M+Na-2H]-	251.068966	156.7
[M]+	230.09375142	151.6
[M]-	230.09484858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe