CID 2736698

3-chloro-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3ClF3N
SMILES
C1=C(C=NC=C1Cl)C(F)(F)F
InChI
InChI=1S/C6H3ClF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey
OMRCXTBFBBWTDL-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1773
Patents

180.99062 Da
Monoisotopic Mass

2.4
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