CID 42056

1,2-bis(p-chlorophenyl) ethanol

Structural Information

Molecular Formula

C₁₄H₁₂Cl₂O

SMILES

C1=CC(=CC=C1CC(C2=CC=C(C=C2)Cl)O)Cl

InChI

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

InChIKey

RGMCATMRVFCULW-UHFFFAOYSA-N

Compound name

1,2-bis(4-chlorophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 266.02652 Da
Monoisotopic Mass: 4.3
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]+	267.03380	156.6
[M+Na]+	289.01574	173.3
[M+NH4]+	284.06034	166.6
[M+K]+	304.98968	163.9
[M-H]-	265.01924	161.5
[M+Na-2H]-	287.00119	166.4
[M]+	266.02597	161.2
[M]-	266.02707	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe