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

385
Patents

165.02016 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.027436 125.0
[M+Na]+ 188.009378 135.4
[M-H]- 164.012884 122.7
[M+NH4]+ 183.053983 144.5
[M+K]+ 203.983318 132.8
[M+H-H2O]+ 148.017420 116.1
[M+HCOO]- 210.018361 143.4
[M+CH3COO]- 224.034011 177.0
[M+Na-2H]- 185.994826 132.5
[M]+ 165.01961142 119.4
[M]- 165.02070858 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