CID 73010819

2-chloro-6-(2'-chloroethylsulfanyl)-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C8H6Cl2F3NS
SMILES
C1=C(C=C(N=C1SCCCl)Cl)C(F)(F)F
InChI
InChI=1S/C8H6Cl2F3NS/c9-1-2-15-7-4-5(8(11,12)13)3-6(10)14-7/h3-4H,1-2H2
InChIKey
PXUYWDYLZFNVDX-UHFFFAOYSA-N
Compound name
2-chloro-6-(2-chloroethylsulfanyl)-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.95502 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96230 145.1
[M+Na]+ 297.94424 156.1
[M-H]- 273.94774 143.6
[M+NH4]+ 292.98884 162.3
[M+K]+ 313.91818 149.6
[M+H-H2O]+ 257.95228 138.1
[M+HCOO]- 319.95322 149.1
[M+CH3COO]- 333.96887 193.4
[M+Na-2H]- 295.92969 147.0
[M]+ 274.95447 146.8
[M]- 274.95557 146.8
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

No patent data available for this compound.