CID 608116

Bisphenol e

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

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

InChI

InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3

InChIKey

HCNHNBLSNVSJTJ-UHFFFAOYSA-N

Compound name

4-[1-(4-hydroxyphenyl)ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 34
References: 43166
Patents: 214.09938 Da
Monoisotopic Mass: 3.9
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]+	215.106656	146.8
[M+Na]+	237.088598	154.2
[M-H]-	213.092104	151.3
[M+NH4]+	232.133203	164.2
[M+K]+	253.062538	150.1
[M+H-H2O]+	197.096640	140.4
[M+HCOO]-	259.097581	167.7
[M+CH3COO]-	273.113231	184.1
[M+Na-2H]-	235.074046	151.4
[M]+	214.09883142	145.3
[M]-	214.09992858	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe