CID 589833

2-chloro-3-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3ClF3N
SMILES
C1=CC(=C(N=C1)Cl)C(F)(F)F
InChI
InChI=1S/C6H3ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H
InChIKey
RXATZPCCMYMPME-UHFFFAOYSA-N
Compound name
2-chloro-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1650
Patents

180.99062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.99790 133.2
[M+Na]+ 203.97984 144.3
[M+NH4]+ 199.02444 139.9
[M+K]+ 219.95378 138.5
[M-H]- 179.98334 130.4
[M+Na-2H]- 201.96529 139.1
[M]+ 180.99007 134.1
[M]- 180.99117 134.1
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