CID 2783288

2,3,6-trifluoropyridine

Structural Information

Molecular Formula
C5H2F3N
SMILES
C1=CC(=NC(=C1F)F)F
InChI
InChI=1S/C5H2F3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey
HRLIANGJWPJFKW-UHFFFAOYSA-N
Compound name
2,3,6-trifluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

445
Patents

133.01393 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.02121 116.3
[M+Na]+ 156.00315 127.5
[M-H]- 132.00665 115.6
[M+NH4]+ 151.04775 137.3
[M+K]+ 171.97709 125.3
[M+H-H2O]+ 116.01119 108.2
[M+HCOO]- 178.01213 137.7
[M+CH3COO]- 192.02778 172.5
[M+Na-2H]- 153.98860 123.7
[M]+ 133.01338 112.6
[M]- 133.01448 112.6
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