CID 145913196

2-chloro-5-(1,1,2,2-tetrafluoroethyl)pyridine

Structural Information

Molecular Formula
C7H4ClF4N
SMILES
C1=CC(=NC=C1C(C(F)F)(F)F)Cl
InChI
InChI=1S/C7H4ClF4N/c8-5-2-1-4(3-13-5)7(11,12)6(9)10/h1-3,6H
InChIKey
BLAOJBNROTXBFN-UHFFFAOYSA-N
Compound name
2-chloro-5-(1,1,2,2-tetrafluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.99684 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.004116 133.3
[M+Na]+ 235.986058 143.7
[M-H]- 211.989564 130.7
[M+NH4]+ 231.030663 151.6
[M+K]+ 251.959998 139.3
[M+H-H2O]+ 195.994100 124.7
[M+HCOO]- 257.995041 145.8
[M+CH3COO]- 272.010691 185.3
[M+Na-2H]- 233.971506 138.7
[M]+ 212.99629142 129.6
[M]- 212.99738858 129.6
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.