CID 3013331

2,4-dichloro-3-hydroxybibenzyl

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂O

SMILES

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

InChI

InChI=1S/C14H12Cl2O/c15-12-9-8-11(13(16)14(12)17)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,6-7H2

InChIKey

WQPCLLKHKQIJRZ-UHFFFAOYSA-N

Compound name

2,6-dichloro-3-(2-phenylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.02652 Da
Monoisotopic Mass: 5.0
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]+	267.03380	154.8
[M+Na]+	289.01574	165.1
[M-H]-	265.01924	159.8
[M+NH4]+	284.06034	172.5
[M+K]+	304.98968	157.7
[M+H-H2O]+	249.02378	149.7
[M+HCOO]-	311.02472	168.3
[M+CH3COO]-	325.04037	193.2
[M+Na-2H]-	287.00119	159.1
[M]+	266.02597	158.1
[M]-	266.02707	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.