CID 21569852

3-fluoropyridine-4-thiol

Structural Information

Molecular Formula
C5H4FNS
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

20
Patents

129.00485 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.01213 120.8
[M+Na]+ 151.99407 133.6
[M+NH4]+ 147.03867 129.7
[M+K]+ 167.96801 125.2
[M-H]- 127.99757 121.5
[M+Na-2H]- 149.97952 127.4
[M]+ 129.00430 123.2
[M]- 129.00540 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe