CID 21569852

3-fluoropyridine-4-thiol

Structural Information

Molecular Formula

SMILES

C1=CNC=C(C1=S)F

InChI

InChI=1S/C5H4FNS/c6-4-3-7-2-1-5(4)8/h1-3H,(H,7,8)

InChIKey

QSCRMYQITADJOU-UHFFFAOYSA-N

Compound name

3-fluoro-1H-pyridine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 129.00485 Da
Monoisotopic Mass: 1.0
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]+	130.012126	117.4
[M+Na]+	151.994068	127.7
[M-H]-	127.997574	117.9
[M+NH4]+	147.038673	138.4
[M+K]+	167.968008	123.8
[M+H-H2O]+	112.002110	111.4
[M+HCOO]-	174.003051	134.3
[M+CH3COO]-	188.018701	166.1
[M+Na-2H]-	149.979516	122.5
[M]+	129.00430142	115.3
[M]-	129.00539858	115.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe