CID 49871186

3-(trifluoromethoxy)pyridin-2-amine

Structural Information

Molecular Formula
C6H5F3N2O
SMILES
C1=CC(=C(N=C1)N)OC(F)(F)F
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)12-4-2-1-3-11-5(4)10/h1-3H,(H2,10,11)
InChIKey
WCRYAXUZQGCSAO-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

178.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04268 130.4
[M+Na]+ 201.02462 139.8
[M-H]- 177.02812 128.8
[M+NH4]+ 196.06922 148.7
[M+K]+ 216.99856 137.6
[M+H-H2O]+ 161.03266 121.7
[M+HCOO]- 223.03360 150.5
[M+CH3COO]- 237.04925 180.1
[M+Na-2H]- 199.01007 137.6
[M]+ 178.03485 125.6
[M]- 178.03595 125.6
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