CID 2775246

76041-72-0

Structural Information

Molecular Formula
C6H4F3NS
SMILES
C1=CC(=S)NC=C1C(F)(F)F
InChI
InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKey
YFSCXLSUZZXNHW-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

436
Patents

179.00165 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00893 136.8
[M+Na]+ 201.99087 146.3
[M+NH4]+ 197.03547 143.0
[M+K]+ 217.96481 139.3
[M-H]- 177.99437 133.5
[M+Na-2H]- 199.97632 140.8
[M]+ 179.00110 137.4
[M]- 179.00220 137.4
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