CID 5171332

20115-81-5

Structural Information

Molecular Formula

C₁₄H₁₄O₄

SMILES

C1=CC=C(C(=C1)O)OCCOC2=CC=CC=C2O

InChI

InChI=1S/C14H14O4/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8,15-16H,9-10H2

InChIKey

PRYNAEBLJBDWPF-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyphenoxy)ethoxy]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 246.0892 Da
Monoisotopic Mass: 2.8
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]+	247.09648	154.3
[M+Na]+	269.07842	168.1
[M+NH4]+	264.12302	162.0
[M+K]+	285.05236	161.4
[M-H]-	245.08192	157.5
[M+Na-2H]-	267.06387	162.6
[M]+	246.08865	157.2
[M]-	246.08975	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe