CID 14736235

2-chloro-4,6-bis(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
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

literature stripe

Patent stripe

patents stripe