CID 44181812

2-amino-5-bromo-4-chloropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

457
Patents

205.92464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.93192 128.8
[M+Na]+ 228.91386 142.9
[M-H]- 204.91736 133.9
[M+NH4]+ 223.95846 150.9
[M+K]+ 244.88780 130.0
[M+H-H2O]+ 188.92190 129.4
[M+HCOO]- 250.92284 146.8
[M+CH3COO]- 264.93849 182.7
[M+Na-2H]- 226.89931 137.7
[M]+ 205.92409 147.2
[M]- 205.92519 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