CID 26986088

2-sulphanyl-6-(trifluoromethyl)pyridine

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

34
Patents

179.00165 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.008926 127.7
[M+Na]+ 201.990868 138.0
[M-H]- 177.994374 125.5
[M+NH4]+ 197.035473 146.6
[M+K]+ 217.964808 133.3
[M+H-H2O]+ 161.998910 119.9
[M+HCOO]- 223.999851 140.6
[M+CH3COO]- 238.015501 174.4
[M+Na-2H]- 199.976316 131.7
[M]+ 179.00110142 123.0
[M]- 179.00219858 123.0
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