CID 16069

4,4'-dihydroxydiphenyl ether

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)O

InChI

InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChIKey

NZGQHKSLKRFZFL-UHFFFAOYSA-N

Compound name

4-(4-hydroxyphenoxy)phenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3
References: 47605
Patents: 202.06299 Da
Monoisotopic Mass: 2.0
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]+	203.070266	140.7
[M+Na]+	225.052208	149.0
[M-H]-	201.055714	145.4
[M+NH4]+	220.096813	158.4
[M+K]+	241.026148	145.6
[M+H-H2O]+	185.060250	134.2
[M+HCOO]-	247.061191	163.4
[M+CH3COO]-	261.076841	179.3
[M+Na-2H]-	223.037656	147.5
[M]+	202.06244142	140.4
[M]-	202.06353858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe