CID 15896766

4-(trifluoromethyl)pyridine-2-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 127.7
[M+Na]+ 201.99087 138.0
[M-H]- 177.99437 125.5
[M+NH4]+ 197.03547 146.6
[M+K]+ 217.96481 133.3
[M+H-H2O]+ 161.99891 119.9
[M+HCOO]- 223.99985 140.6
[M+CH3COO]- 238.01550 174.4
[M+Na-2H]- 199.97632 131.7
[M]+ 179.00110 123.0
[M]- 179.00220 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

literature stripe

Patent stripe

patents stripe