CID 67482138

1093954-03-0

Structural Information

Molecular Formula
C6H4F3NS
SMILES
C1=CNC(=CC1=S)C(F)(F)F
InChI
InChI=1S/C6H4F3NS/c7-6(8,9)5-3-4(11)1-2-10-5/h1-3H,(H,10,11)
InChIKey
NQEUCAFEERCRRC-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1H-pyridine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

179.00165 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe