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

33
Patents

221.96042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.967696 136.5
[M+Na]+ 244.949638 148.9
[M-H]- 220.953144 139.1
[M+NH4]+ 239.994243 156.8
[M+K]+ 260.923578 137.3
[M+H-H2O]+ 204.957680 134.2
[M+HCOO]- 266.958621 155.5
[M+CH3COO]- 280.974271 187.8
[M+Na-2H]- 242.935086 142.6
[M]+ 221.95987142 150.6
[M]- 221.96096858 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