CID 92342

2-chloro-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3ClF3N
SMILES
C1=CC(=NC=C1C(F)(F)F)Cl
InChI
InChI=1S/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
InChIKey
JFZJMSDDOOAOIV-UHFFFAOYSA-N
Compound name
2-chloro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4502
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 126.9
[M+Na]+ 203.97984 138.0
[M-H]- 179.98334 125.8
[M+NH4]+ 199.02444 146.7
[M+K]+ 219.95378 133.9
[M+H-H2O]+ 163.98788 119.5
[M+HCOO]- 225.98882 141.8
[M+CH3COO]- 240.00447 177.9
[M+Na-2H]- 201.96529 134.6
[M]+ 180.99007 124.5
[M]- 180.99117 124.5
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