CID 7033

4,4'-dichlorobenzhydrol

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂O

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)O)Cl

InChI

InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H

InChIKey

PHUYGURFBULKPA-UHFFFAOYSA-N

Compound name

bis(4-chlorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 404
Patents: 252.01086 Da
Monoisotopic Mass: 4.1
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]+	253.01814	149.9
[M+Na]+	275.00008	159.4
[M-H]-	251.00358	154.9
[M+NH4]+	270.04468	167.8
[M+K]+	290.97402	152.7
[M+H-H2O]+	235.00812	145.0
[M+HCOO]-	297.00906	162.8
[M+CH3COO]-	311.02471	162.4
[M+Na-2H]-	272.98553	154.3
[M]+	252.01031	152.0
[M]-	252.01141	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe