CID 2782833

3-fluoro-4-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

165.02016 Da
Monoisotopic Mass

1.8
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

No literature data available for this compound.

Patent stripe

patents stripe