CID 3843730

5-chloropyridine-2-thiol

Structural Information

Molecular Formula
C5H4ClNS
SMILES
C1=CC(=S)NC=C1Cl
InChI
InChI=1S/C5H4ClNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
FNXPASNYGUMVGZ-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

144.9753 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.98258 123.7
[M+Na]+ 167.96452 138.3
[M+NH4]+ 163.00912 133.7
[M+K]+ 183.93846 128.9
[M-H]- 143.96802 126.0
[M+Na-2H]- 165.94997 131.2
[M]+ 144.97475 127.2
[M]- 144.97585 127.2
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