CID 11961968

658066-44-5

Structural Information

Molecular Formula

C₈H₈ClF₃N₂

SMILES

C1=C(C=NC(=C1Cl)CCN)C(F)(F)F

InChI

InChI=1S/C8H8ClF3N2/c9-6-3-5(8(10,11)12)4-14-7(6)1-2-13/h3-4H,1-2,13H2

InChIKey

BEESBQNARXNIDL-UHFFFAOYSA-N

Compound name

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 224.0328 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.04008	141.8
[M+Na]+	247.02202	152.0
[M-H]-	223.02552	140.0
[M+NH4]+	242.06662	159.5
[M+K]+	262.99596	146.9
[M+H-H2O]+	207.03006	133.8
[M+HCOO]-	269.03100	156.4
[M+CH3COO]-	283.04665	189.1
[M+Na-2H]-	245.00747	146.7
[M]+	224.03225	138.7
[M]-	224.03335	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe