CID 26986088

6-(trifluoromethyl)pyridine-2-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

179.00165 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe