CID 12999570

3-(4-chlorophenoxy)pyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

C1CNCC1OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H12ClNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2

InChIKey

GTDFBKVKKRBGIF-UHFFFAOYSA-N

Compound name

3-(4-chlorophenoxy)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 197.06075 Da
Monoisotopic Mass: 2.3
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]+	198.06803	140.9
[M+Na]+	220.04997	153.8
[M+NH4]+	215.09457	150.3
[M+K]+	236.02391	148.0
[M-H]-	196.05347	144.0
[M+Na-2H]-	218.03542	148.3
[M]+	197.06020	143.8
[M]-	197.06130	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe