CID 22313627

3-(3,4-dichlorophenoxy)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

C1CNCC1OC2=CC(=C(C=C2)Cl)Cl

InChI

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

InChIKey

ZRYMANOGJMYQPM-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenoxy)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 231.02177 Da
Monoisotopic Mass: 2.9
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]+	232.029046	148.3
[M+Na]+	254.010988	156.9
[M-H]-	230.014494	151.2
[M+NH4]+	249.055593	167.1
[M+K]+	269.984928	150.8
[M+H-H2O]+	214.019030	142.4
[M+HCOO]-	276.019971	159.3
[M+CH3COO]-	290.035621	160.1
[M+Na-2H]-	251.996436	150.5
[M]+	231.02122142	147.5
[M]-	231.02231858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe