CID 139369646

5-bromo-6-(2,2,2-trifluoroethoxy)pyridin-2-amine

Structural Information

Molecular Formula
C7H6BrF3N2O
SMILES
C1=CC(=NC(=C1Br)OCC(F)(F)F)N
InChI
InChI=1S/C7H6BrF3N2O/c8-4-1-2-5(12)13-6(4)14-3-7(9,10)11/h1-2H,3H2,(H2,12,13)
InChIKey
UQQSSDCVAIUJKH-UHFFFAOYSA-N
Compound name
5-bromo-6-(2,2,2-trifluoroethoxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.96155 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96883 148.6
[M+Na]+ 292.95077 161.2
[M-H]- 268.95427 149.9
[M+NH4]+ 287.99537 167.1
[M+K]+ 308.92471 149.3
[M+H-H2O]+ 252.95881 145.4
[M+HCOO]- 314.95975 165.9
[M+CH3COO]- 328.97540 194.1
[M+Na-2H]- 290.93622 155.1
[M]+ 269.96100 163.1
[M]- 269.96210 163.1
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