CID 157291

79128-43-1

Structural Information

Molecular Formula

C₁₀H₁₂FNS

SMILES

C1CNC(SC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C10H12FNS/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h2-5,10,12H,1,6-7H2

InChIKey

FBTSRHZVKLIAEQ-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1,3-thiazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.06744 Da
Monoisotopic Mass: 1.9
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]+	198.07472	140.3
[M+Na]+	220.05666	152.4
[M+NH4]+	215.10126	149.8
[M+K]+	236.03060	143.0
[M-H]-	196.06016	143.3
[M+Na-2H]-	218.04211	147.5
[M]+	197.06689	143.3
[M]-	197.06799	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.