CID 118238433

2-(trifluoromethyl)pyridine-3-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

179.00165 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00893 137.1
[M+Na]+ 201.99087 147.1
[M+NH4]+ 197.03547 143.9
[M+K]+ 217.96481 139.9
[M-H]- 177.99437 134.6
[M+Na-2H]- 199.97632 141.8
[M]+ 179.00110 138.1
[M]- 179.00220 138.1
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