CID 45480430

3-amino-2-bromo-6-chloropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

205.92464 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe