CID 82005221

5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine

Structural Information

Molecular Formula
C7H7BrF2N2O
SMILES
C1=C(C=NC(=C1N)OCC(F)F)Br
InChI
InChI=1S/C7H7BrF2N2O/c8-4-1-5(11)7(12-2-4)13-3-6(9)10/h1-2,6H,3,11H2
InChIKey
UATBKJGEFSBFNO-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,2-difluoroethoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.97098 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.978256 143.7
[M+Na]+ 274.960198 155.6
[M-H]- 250.963704 146.0
[M+NH4]+ 270.004803 162.8
[M+K]+ 290.934138 144.2
[M+H-H2O]+ 234.968240 141.0
[M+HCOO]- 296.969181 162.6
[M+CH3COO]- 310.984831 192.5
[M+Na-2H]- 272.945646 149.2
[M]+ 251.97043142 159.5
[M]- 251.97152858 159.5
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

No patent data available for this compound.