CID 8401

4-chlorobenzhydrol

Structural Information

Molecular Formula

C₁₃H₁₁ClO

SMILES

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

InChI

InChI=1S/C13H11ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H

InChIKey

AJYOOHCNOXWTKJ-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 475
Patents: 218.04984 Da
Monoisotopic Mass: 3.3
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]+	219.05712	144.8
[M+Na]+	241.03906	153.0
[M-H]-	217.04256	150.2
[M+NH4]+	236.08366	163.3
[M+K]+	257.01300	147.5
[M+H-H2O]+	201.04710	139.0
[M+HCOO]-	263.04804	162.7
[M+CH3COO]-	277.06369	184.3
[M+Na-2H]-	239.02451	150.7
[M]+	218.04929	145.1
[M]-	218.05039	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe