CID 16785301

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

192.05104 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 135.0
[M+Na]+ 215.04026 144.0
[M-H]- 191.04376 133.3
[M+NH4]+ 210.08486 152.9
[M+K]+ 231.01420 141.6
[M+H-H2O]+ 175.04830 126.2
[M+HCOO]- 237.04924 154.8
[M+CH3COO]- 251.06489 183.1
[M+Na-2H]- 213.02571 141.8
[M]+ 192.05049 130.6
[M]- 192.05159 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