CID 124248884

317810-57-4

Structural Information

Molecular Formula
C8H5F7N2
SMILES
C1=CC(=NC=C1N)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F7N2/c9-6(10,7(11,12)8(13,14)15)5-2-1-4(16)3-17-5/h1-3H,16H2
InChIKey
BYLZHFMTBONWJX-UHFFFAOYSA-N
Compound name
6-(1,1,2,2,3,3,3-heptafluoropropyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.0341 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04138 148.1
[M+Na]+ 285.02332 157.7
[M-H]- 261.02682 141.5
[M+NH4]+ 280.06792 162.7
[M+K]+ 300.99726 153.7
[M+H-H2O]+ 245.03136 136.5
[M+HCOO]- 307.03230 159.6
[M+CH3COO]- 321.04795 196.9
[M+Na-2H]- 283.00877 153.3
[M]+ 262.03355 136.1
[M]- 262.03465 136.1
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.