CID 82668047

5-fluoropyridine-3-carbothioamide

Structural Information

Molecular Formula
C6H5FN2S
SMILES
C1=C(C=NC=C1F)C(=S)N
InChI
InChI=1S/C6H5FN2S/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChIKey
SQPAPSBWERDQTR-UHFFFAOYSA-N
Compound name
5-fluoropyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

156.01575 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02303 126.3
[M+Na]+ 179.00497 135.4
[M-H]- 155.00847 127.4
[M+NH4]+ 174.04957 146.0
[M+K]+ 194.97891 131.9
[M+H-H2O]+ 139.01301 119.3
[M+HCOO]- 201.01395 143.6
[M+CH3COO]- 215.02960 176.6
[M+Na-2H]- 176.99042 129.6
[M]+ 156.01520 123.9
[M]- 156.01630 123.9
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