CID 132522704

2-chloro-5-[(difluoromethyl)sulfanyl]pyridine

Structural Information

Molecular Formula
C6H4ClF2NS
SMILES
C1=CC(=NC=C1SC(F)F)Cl
InChI
InChI=1S/C6H4ClF2NS/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
InChIKey
QZUMSGFOQTZOBO-UHFFFAOYSA-N
Compound name
2-chloro-5-(difluoromethylsulfanyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.9721 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.97938 128.3
[M+Na]+ 217.96132 138.6
[M-H]- 193.96482 128.6
[M+NH4]+ 213.00592 148.0
[M+K]+ 233.93526 134.3
[M+H-H2O]+ 177.96936 121.6
[M+HCOO]- 239.97030 139.6
[M+CH3COO]- 253.98595 180.1
[M+Na-2H]- 215.94677 131.5
[M]+ 194.97155 129.3
[M]- 194.97265 129.3
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.