CID 72210965

944904-54-5

Structural Information

Molecular Formula
C8H8ClF3N2
SMILES
CC(C1=C(N=C(C=C1)C(F)(F)F)Cl)N
InChI
InChI=1S/C8H8ClF3N2/c1-4(13)5-2-3-6(8(10,11)12)14-7(5)9/h2-4H,13H2,1H3
InChIKey
VBOBDQRDNMGLBX-UHFFFAOYSA-N
Compound name
1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04008 143.6
[M+Na]+ 247.02202 152.9
[M+NH4]+ 242.06662 149.3
[M+K]+ 262.99596 148.2
[M-H]- 223.02552 140.7
[M+Na-2H]- 245.00747 147.8
[M]+ 224.03225 144.0
[M]- 224.03335 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.