CID 20623520

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

248.978 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98528 161.0
[M+Na]+ 271.96722 167.1
[M+NH4]+ 267.01182 163.6
[M+K]+ 287.94116 162.8
[M-H]- 247.97072 154.4
[M+Na-2H]- 269.95267 162.4
[M]+ 248.97745 159.9
[M]- 248.97855 159.9
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