CID 2856901

N-(1,1-dioxido-2,3-dihydro-3-thienyl)-2-fluoro-n-(3-methylphenyl)benzamide

Structural Information

Molecular Formula

C₁₈H₁₆FNO₃S

SMILES

CC1=CC(=CC=C1)N(C2CS(=O)(=O)C=C2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H16FNO3S/c1-13-5-4-6-14(11-13)20(15-9-10-24(22,23)12-15)18(21)16-7-2-3-8-17(16)19/h2-11,15H,12H2,1H3

InChIKey

PIKRQQGITFNPKO-UHFFFAOYSA-N

Compound name

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-fluoro-N-(3-methylphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 345.0835 Da
Monoisotopic Mass: 2.8
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]+	346.090776	177.5
[M+Na]+	368.072718	186.2
[M-H]-	344.076224	188.1
[M+NH4]+	363.117323	195.1
[M+K]+	384.046658	182.0
[M+H-H2O]+	328.080760	169.2
[M+HCOO]-	390.081701	196.8
[M+CH3COO]-	404.097351	211.7
[M+Na-2H]-	366.058166	177.2
[M]+	345.08295142	179.8
[M]-	345.08404858	179.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.