CID 99728609

2-chloro-3-(pentafluoroethyl)pyridine

Structural Information

Molecular Formula
C7H3ClF5N
SMILES
C1=CC(=C(N=C1)Cl)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H3ClF5N/c8-5-4(2-1-3-14-5)6(9,10)7(11,12)13/h1-3H
InChIKey
SXJAZKPSUJJAKV-UHFFFAOYSA-N
Compound name
2-chloro-3-(1,1,2,2,2-pentafluoroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.98741 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.994686 137.0
[M+Na]+ 253.976628 148.1
[M-H]- 229.980134 133.3
[M+NH4]+ 249.021233 154.6
[M+K]+ 269.950568 143.2
[M+H-H2O]+ 213.984670 127.8
[M+HCOO]- 275.985611 147.7
[M+CH3COO]- 290.001261 187.2
[M+Na-2H]- 251.962076 143.6
[M]+ 230.98686142 131.8
[M]- 230.98795858 131.8
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

patents stripe