CID 12945236

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

248.978 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.98528 139.4
[M+Na]+ 271.96722 151.6
[M-H]- 247.97072 134.9
[M+NH4]+ 267.01182 156.6
[M+K]+ 287.94116 146.3
[M+H-H2O]+ 231.97526 129.6
[M+HCOO]- 293.97620 149.2
[M+CH3COO]- 307.99185 190.6
[M+Na-2H]- 269.95267 144.8
[M]+ 248.97745 133.3
[M]- 248.97855 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