CID 3051564

3-(3,4-dichlorophenyl)-3-pyrrolidinol

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

C1CNCC1(C2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C10H11Cl2NO/c11-8-2-1-7(5-9(8)12)10(14)3-4-13-6-10/h1-2,5,13-14H,3-4,6H2

InChIKey

VTDDGZREKRAICG-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 231.02177 Da
Monoisotopic Mass: 1.9
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]+	232.02905	146.9
[M+Na]+	254.01099	156.1
[M-H]-	230.01449	149.1
[M+NH4]+	249.05559	167.2
[M+K]+	269.98493	149.3
[M+H-H2O]+	214.01903	142.2
[M+HCOO]-	276.01997	156.7
[M+CH3COO]-	290.03562	158.7
[M+Na-2H]-	251.99644	150.0
[M]+	231.02122	144.7
[M]-	231.02232	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe