CID 29004293

6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

Structural Information

Molecular Formula
C8H8F4N2O
SMILES
C1=CC(=NC=C1N)OCC(C(F)F)(F)F
InChI
InChI=1S/C8H8F4N2O/c9-7(10)8(11,12)4-15-6-2-1-5(13)3-14-6/h1-3,7H,4,13H2
InChIKey
XDHROHIHKBDPTB-UHFFFAOYSA-N
Compound name
6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.05728 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06456 142.2
[M+Na]+ 247.04650 150.4
[M-H]- 223.05000 138.9
[M+NH4]+ 242.09110 158.4
[M+K]+ 263.02044 147.8
[M+H-H2O]+ 207.05454 132.1
[M+HCOO]- 269.05548 159.5
[M+CH3COO]- 283.07113 190.6
[M+Na-2H]- 245.03195 146.5
[M]+ 224.05673 136.3
[M]- 224.05783 136.3
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

patents stripe