CID 53403661

1060805-59-5

Structural Information

Molecular Formula
C8H9F3N2
SMILES
C1=CN=C(C=C1C(F)(F)F)CCN
InChI
InChI=1S/C8H9F3N2/c9-8(10,11)6-2-4-13-7(5-6)1-3-12/h2,4-5H,1,3,12H2
InChIKey
AIJJATXYPUHTIR-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)pyridin-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07178 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07906 136.6
[M+Na]+ 213.06100 145.2
[M-H]- 189.06450 134.7
[M+NH4]+ 208.10560 154.6
[M+K]+ 229.03494 142.0
[M+H-H2O]+ 173.06904 127.7
[M+HCOO]- 235.06998 155.8
[M+CH3COO]- 249.08563 184.2
[M+Na-2H]- 211.04645 142.7
[M]+ 190.07123 131.1
[M]- 190.07233 131.1
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.