CID 90285441

5-bromo-3-(difluoromethyl)pyridin-2-amine

Structural Information

Molecular Formula
C6H5BrF2N2
SMILES
C1=C(C=NC(=C1C(F)F)N)Br
InChI
InChI=1S/C6H5BrF2N2/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H,(H2,10,11)
InChIKey
CSAQTTOMTJSVQE-UHFFFAOYSA-N
Compound name
5-bromo-3-(difluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

221.96042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96770 136.5
[M+Na]+ 244.94964 148.9
[M-H]- 220.95314 139.1
[M+NH4]+ 239.99424 156.8
[M+K]+ 260.92358 137.3
[M+H-H2O]+ 204.95768 134.2
[M+HCOO]- 266.95862 155.5
[M+CH3COO]- 280.97427 187.8
[M+Na-2H]- 242.93509 142.6
[M]+ 221.95987 150.6
[M]- 221.96097 150.6
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