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]+ 252.97826 143.7
[M+Na]+ 274.96020 155.6
[M-H]- 250.96370 146.0
[M+NH4]+ 270.00480 162.8
[M+K]+ 290.93414 144.2
[M+H-H2O]+ 234.96824 141.0
[M+HCOO]- 296.96918 162.6
[M+CH3COO]- 310.98483 192.5
[M+Na-2H]- 272.94565 149.2
[M]+ 251.97043 159.5
[M]- 251.97153 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.