CID 182393

63987-19-9

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

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

InChI

InChI=1S/C13H12O3/c14-9-10-2-1-3-13(8-10)16-12-6-4-11(15)5-7-12/h1-8,14-15H,9H2

InChIKey

PJOAGCNCAOJNKZ-UHFFFAOYSA-N

Compound name

4-[3-(hydroxymethyl)phenoxy]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 216.07864 Da
Monoisotopic Mass: 2.1
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]+	217.085916	145.3
[M+Na]+	239.067858	153.2
[M-H]-	215.071364	149.8
[M+NH4]+	234.112463	162.5
[M+K]+	255.041798	149.5
[M+H-H2O]+	199.075900	138.7
[M+HCOO]-	261.076841	167.7
[M+CH3COO]-	275.092491	182.4
[M+Na-2H]-	237.053306	151.6
[M]+	216.07809142	145.4
[M]-	216.07918858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe