CID 737460

3-chloro-5-(trifluoromethyl)pyridine-2-thiol

Structural Information

Molecular Formula
C6H3ClF3NS
SMILES
C1=C(C(=S)NC=C1C(F)(F)F)Cl
InChI
InChI=1S/C6H3ClF3NS/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
InChIKey
TZCNTBWWNBGRFJ-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethyl)-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

212.96268 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96996 131.5
[M+Na]+ 235.95190 143.2
[M-H]- 211.95540 129.6
[M+NH4]+ 230.99650 150.2
[M+K]+ 251.92584 136.8
[M+H-H2O]+ 195.95994 124.8
[M+HCOO]- 257.96088 139.9
[M+CH3COO]- 271.97653 179.3
[M+Na-2H]- 233.93735 134.6
[M]+ 212.96213 129.0
[M]- 212.96323 129.0
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