CID 58742268

5-chloropyridine-2-carbothioamide

Structural Information

Molecular Formula
C6H5ClN2S
SMILES
C1=CC(=NC=C1Cl)C(=S)N
InChI
InChI=1S/C6H5ClN2S/c7-4-1-2-5(6(8)10)9-3-4/h1-3H,(H2,8,10)
InChIKey
FCXQEGCLAGPNPO-UHFFFAOYSA-N
Compound name
5-chloropyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

171.98619 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.99347 129.8
[M+Na]+ 194.97541 139.5
[M-H]- 170.97891 132.3
[M+NH4]+ 190.02001 149.9
[M+K]+ 210.94935 134.7
[M+H-H2O]+ 154.98345 124.8
[M+HCOO]- 216.98439 143.6
[M+CH3COO]- 231.00004 177.8
[M+Na-2H]- 192.96086 133.2
[M]+ 171.98564 130.4
[M]- 171.98674 130.4
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