CID 2778311

3,5-bis(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C7H3F6N
SMILES
C1=C(C=NC=C1C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H3F6N/c8-6(9,10)4-1-5(3-14-2-4)7(11,12)13/h1-3H
InChIKey
RQEOYYWUVYZZLL-UHFFFAOYSA-N
Compound name
3,5-bis(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

215.01697 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.02425 157.5
[M+Na]+ 238.00619 163.2
[M+NH4]+ 233.05079 160.1
[M+K]+ 253.98013 159.1
[M-H]- 214.00969 150.9
[M+Na-2H]- 235.99164 159.1
[M]+ 215.01642 156.1
[M]- 215.01752 156.1
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