CID 589903

5,5'-bis(trifluoromethyl)-2,2'-bipyridine

Structural Information

Molecular Formula
C12H6F6N2
SMILES
C1=CC(=NC=C1C(F)(F)F)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H6F6N2/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18/h1-6H
InChIKey
ZHMXQYAUGQASQM-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-2-[5-(trifluoromethyl)pyridin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

122
Patents

292.04352 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05080 159.1
[M+Na]+ 315.03274 169.9
[M-H]- 291.03624 156.0
[M+NH4]+ 310.07734 171.8
[M+K]+ 331.00668 164.0
[M+H-H2O]+ 275.04078 145.8
[M+HCOO]- 337.04172 171.6
[M+CH3COO]- 351.05737 200.0
[M+Na-2H]- 313.01819 164.4
[M]+ 292.04297 151.0
[M]- 292.04407 151.0
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