CID 543156

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

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
C1=CC(=NC=C1N)OCC(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)4-13-6-2-1-5(11)3-12-6/h1-3H,4,11H2
InChIKey
OJCXGRPKFISGAZ-UHFFFAOYSA-N
Compound name
6-(2,2,2-trifluoroethoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

192.05104 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058316 135.0
[M+Na]+ 215.040258 144.0
[M-H]- 191.043764 133.3
[M+NH4]+ 210.084863 152.9
[M+K]+ 231.014198 141.6
[M+H-H2O]+ 175.048300 126.2
[M+HCOO]- 237.049241 154.8
[M+CH3COO]- 251.064891 183.1
[M+Na-2H]- 213.025706 141.8
[M]+ 192.05049142 130.6
[M]- 192.05158858 130.6
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