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 134.6
[M+Na]+ 217.03592 144.6
[M-H]- 193.03942 131.9
[M+NH4]+ 212.08052 152.6
[M+K]+ 233.00986 141.2
[M+H-H2O]+ 177.04396 125.2
[M+HCOO]- 239.04490 153.0
[M+CH3COO]- 253.06055 185.2
[M+Na-2H]- 215.02137 139.9
[M]+ 194.04615 127.9
[M]- 194.04725 127.9
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.