CID 13476973

3-chloropyridine-2-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

144.9753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.982576 120.7
[M+Na]+ 167.964518 131.6
[M-H]- 143.968024 122.6
[M+NH4]+ 163.009123 142.0
[M+K]+ 183.938458 126.4
[M+H-H2O]+ 127.972560 116.6
[M+HCOO]- 189.973501 134.1
[M+CH3COO]- 203.989151 167.3
[M+Na-2H]- 165.949966 126.0
[M]+ 144.97475142 121.4
[M]- 144.97584858 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe