CID 11159514

2-fluoro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3F4N
SMILES
C1=CN=C(C=C1C(F)(F)F)F
InChI
InChI=1S/C6H3F4N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
InChIKey
DFNQBXZKPUBEIX-UHFFFAOYSA-N
Compound name
2-fluoro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

165.02016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02744 125.0
[M+Na]+ 188.00938 135.4
[M-H]- 164.01288 122.7
[M+NH4]+ 183.05398 144.5
[M+K]+ 203.98332 132.8
[M+H-H2O]+ 148.01742 116.1
[M+HCOO]- 210.01836 143.4
[M+CH3COO]- 224.03401 177.0
[M+Na-2H]- 185.99483 132.5
[M]+ 165.01961 119.4
[M]- 165.02071 119.4
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