CID 11701939

Ordopidine

Structural Information

Molecular Formula

C₁₄H₂₀FNO₂S

SMILES

CCN1CCC(CC1)C2=C(C(=CC=C2)S(=O)(=O)C)F

InChI

InChI=1S/C14H20FNO2S/c1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)19(2,17)18/h4-6,11H,3,7-10H2,1-2H3

InChIKey

UKUPJASJNQDHPH-UHFFFAOYSA-N

Compound name

1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 37
Patents: 285.11987 Da
Monoisotopic Mass: 2.2
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]+	286.12715	163.0
[M+Na]+	308.10909	170.3
[M-H]-	284.11259	166.7
[M+NH4]+	303.15369	178.2
[M+K]+	324.08303	165.9
[M+H-H2O]+	268.11713	154.9
[M+HCOO]-	330.11807	174.8
[M+CH3COO]-	344.13372	198.4
[M+Na-2H]-	306.09454	163.3
[M]+	285.11932	161.7
[M]-	285.12042	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe