CID 3013332

2-chloro-3-hydroxybibenzyl

Structural Information

Molecular Formula

C₁₄H₁₃ClO

SMILES

C1=CC=C(C=C1)CCC2=C(C(=CC=C2)O)Cl

InChI

InChI=1S/C14H13ClO/c15-14-12(7-4-8-13(14)16)10-9-11-5-2-1-3-6-11/h1-8,16H,9-10H2

InChIKey

CDUWONFPIPHTMX-UHFFFAOYSA-N

Compound name

2-chloro-3-(2-phenylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 232.06549 Da
Monoisotopic Mass: 4.4
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]+	233.07277	149.3
[M+Na]+	255.05471	158.2
[M-H]-	231.05821	154.7
[M+NH4]+	250.09931	167.6
[M+K]+	271.02865	152.1
[M+H-H2O]+	215.06275	143.3
[M+HCOO]-	277.06369	167.8
[M+CH3COO]-	291.07934	187.5
[M+Na-2H]-	253.04016	155.0
[M]+	232.06494	150.9
[M]-	232.06604	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe