CID 735862

2-amino-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H5F3N2
SMILES
C1=CC(=NC=C1C(F)(F)F)N
InChI
InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)
InChIKey
RSGVKIIEIXOMPY-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2172
Patents

162.04048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04776 127.2
[M+Na]+ 185.02970 136.7
[M-H]- 161.03320 125.7
[M+NH4]+ 180.07430 146.3
[M+K]+ 201.00364 134.0
[M+H-H2O]+ 145.03774 118.8
[M+HCOO]- 207.03868 147.1
[M+CH3COO]- 221.05433 178.1
[M+Na-2H]- 183.01515 134.5
[M]+ 162.03993 121.0
[M]- 162.04103 121.0
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