CID 75406257

6-chloro-2,3-bis(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H2ClF6N
SMILES
C1=CC(=NC(=C1C(F)(F)F)C(F)(F)F)Cl
InChI
InChI=1S/C7H2ClF6N/c8-4-2-1-3(6(9,10)11)5(15-4)7(12,13)14/h1-2H
InChIKey
PBCADMHKCLFSJK-UHFFFAOYSA-N
Compound name
6-chloro-2,3-bis(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.978 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.985276 139.4
[M+Na]+ 271.967218 151.6
[M-H]- 247.970724 134.9
[M+NH4]+ 267.011823 156.6
[M+K]+ 287.941158 146.3
[M+H-H2O]+ 231.975260 129.6
[M+HCOO]- 293.976201 149.2
[M+CH3COO]- 307.991851 190.6
[M+Na-2H]- 269.952666 144.8
[M]+ 248.97745142 133.3
[M]- 248.97854858 133.3
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

patents stripe