CID 129919412

1-[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H6F4N2
SMILES
C1=C(C=NC(=C1CN)C(F)(F)F)F
InChI
InChI=1S/C7H6F4N2/c8-5-1-4(2-12)6(13-3-5)7(9,10)11/h1,3H,2,12H2
InChIKey
YTMAWJPOIMKKRS-UHFFFAOYSA-N
Compound name
[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0467 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05398 142.7
[M+Na]+ 217.03592 150.6
[M+NH4]+ 212.08052 147.3
[M+K]+ 233.00986 146.0
[M-H]- 193.03942 138.6
[M+Na-2H]- 215.02137 146.2
[M]+ 194.04615 142.3
[M]- 194.04725 142.3
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.