CID 131688

Fr 121196

Structural Information

Molecular Formula

C₁₂H₁₆FN₃O₃S

SMILES

CC(=O)N1CCN(CC1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H16FN3O3S/c1-10(17)15-6-8-16(9-7-15)14-20(18,19)12-4-2-11(13)3-5-12/h2-5,14H,6-9H2,1H3

InChIKey

PZQKOVUNWPDCCQ-UHFFFAOYSA-N

Compound name

N-(4-acetylpiperazin-1-yl)-4-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 48
Patents: 301.08963 Da
Monoisotopic Mass: 0.5
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]+	302.09691	165.1
[M+Na]+	324.07885	171.2
[M-H]-	300.08235	167.3
[M+NH4]+	319.12345	177.2
[M+K]+	340.05279	167.3
[M+H-H2O]+	284.08689	156.0
[M+HCOO]-	346.08783	176.6
[M+CH3COO]-	360.10348	200.5
[M+Na-2H]-	322.06430	166.9
[M]+	301.08908	162.4
[M]-	301.09018	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe