CID 132571628

2-fluoro-3-(pentafluoro-l6-sulfanyl)pyridine

Structural Information

Molecular Formula
C5H3F6NS
SMILES
C1=CC(=C(N=C1)F)S(F)(F)(F)(F)F
InChI
InChI=1S/C5H3F6NS/c6-5-4(2-1-3-12-5)13(7,8,9,10)11/h1-3H
InChIKey
UVRXBHUJUPNYLI-UHFFFAOYSA-N
Compound name
pentafluoro-(2-fluoropyridin-3-yl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.98904 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99632 125.2
[M+Na]+ 245.97826 137.1
[M-H]- 221.98176 121.0
[M+NH4]+ 241.02286 143.1
[M+K]+ 261.95220 132.9
[M+H-H2O]+ 205.98630 115.2
[M+HCOO]- 267.98724 137.1
[M+CH3COO]- 282.00289 185.0
[M+Na-2H]- 243.96371 126.9
[M]+ 222.98849 119.1
[M]- 222.98959 119.1
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