CID 2781866

175276-88-7

Structural Information

Molecular Formula

C₉H₁₀FNO₂S₂

SMILES

C1=CC(=CC=C1CS(=O)(=O)CC(=S)N)F

InChI

InChI=1S/C9H10FNO2S2/c10-8-3-1-7(2-4-8)5-15(12,13)6-9(11)14/h1-4H,5-6H2,(H2,11,14)

InChIKey

AXJXBGORVIHNEY-UHFFFAOYSA-N

Compound name

2-[(4-fluorophenyl)methylsulfonyl]ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 247.0137 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]+	248.02098	148.9
[M+Na]+	270.00292	156.7
[M-H]-	246.00642	150.3
[M+NH4]+	265.04752	165.9
[M+K]+	285.97686	151.0
[M+H-H2O]+	230.01096	141.9
[M+HCOO]-	292.01190	159.7
[M+CH3COO]-	306.02755	190.5
[M+Na-2H]-	267.98837	149.5
[M]+	247.01315	148.6
[M]-	247.01425	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe