CID 2050085

6-bromo-2-chloropyridin-3-amine

Structural Information

Molecular Formula
C5H4BrClN2
SMILES
C1=CC(=NC(=C1N)Cl)Br
InChI
InChI=1S/C5H4BrClN2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
InChIKey
YCECOMBEVDPUJG-UHFFFAOYSA-N
Compound name
6-bromo-2-chloropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

174
Patents

205.92464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.931916 128.8
[M+Na]+ 228.913858 142.9
[M-H]- 204.917364 133.9
[M+NH4]+ 223.958463 150.9
[M+K]+ 244.887798 130.0
[M+H-H2O]+ 188.921900 129.4
[M+HCOO]- 250.922841 146.8
[M+CH3COO]- 264.938491 182.7
[M+Na-2H]- 226.899306 137.7
[M]+ 205.92409142 147.2
[M]- 205.92518858 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe