CID 2782730

845616-10-6

Structural Information

Molecular Formula

C₁₁H₁₅FN₂O₂S

SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCNCC2)F

InChI

InChI=1S/C11H15FN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3

InChIKey

CMYAOPCJWBOQNZ-UHFFFAOYSA-N

Compound name

1-(2-fluoro-4-methylsulfonylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 258.08383 Da
Monoisotopic Mass: 0.7
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]+	259.09111	156.7
[M+Na]+	281.07305	167.3
[M+NH4]+	276.11765	163.1
[M+K]+	297.04699	160.2
[M-H]-	257.07655	156.6
[M+Na-2H]-	279.05850	161.6
[M]+	258.08328	158.4
[M]-	258.08438	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe