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)-3-pyridinyl]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]+ 195.053976 134.6
[M+Na]+ 217.035918 144.6
[M-H]- 193.039424 131.9
[M+NH4]+ 212.080523 152.6
[M+K]+ 233.009858 141.2
[M+H-H2O]+ 177.043960 125.2
[M+HCOO]- 239.044901 153.0
[M+CH3COO]- 253.060551 185.2
[M+Na-2H]- 215.021366 139.9
[M]+ 194.04615142 127.9
[M]- 194.04724858 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.