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

76
Patents

178.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.042676 130.4
[M+Na]+ 201.024618 139.8
[M-H]- 177.028124 128.8
[M+NH4]+ 196.069223 148.7
[M+K]+ 216.998558 137.6
[M+H-H2O]+ 161.032660 121.7
[M+HCOO]- 223.033601 150.5
[M+CH3COO]- 237.049251 180.1
[M+Na-2H]- 199.010066 137.6
[M]+ 178.03485142 125.6
[M]- 178.03594858 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