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 141.4
[M+Na]+ 247.02202 151.4
[M-H]- 223.02552 139.8
[M+NH4]+ 242.06662 159.1
[M+K]+ 262.99596 146.8
[M+H-H2O]+ 207.03006 133.6
[M+HCOO]- 269.03100 155.1
[M+CH3COO]- 283.04665 190.0
[M+Na-2H]- 245.00747 145.2
[M]+ 224.03225 137.7
[M]- 224.03335 137.7
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.