CID 12747760

5-bromo-2,3-dichloropyridine

Structural Information

Molecular Formula
C5H2BrCl2N
SMILES
C1=C(C=NC(=C1Cl)Cl)Br
InChI
InChI=1S/C5H2BrCl2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
XWSCOGPKWVNQSV-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dichloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2971
Patents

224.87477 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.88205 127.5
[M+Na]+ 247.86399 143.1
[M-H]- 223.86749 132.6
[M+NH4]+ 242.90859 149.9
[M+K]+ 263.83793 129.7
[M+H-H2O]+ 207.87203 129.5
[M+HCOO]- 269.87297 140.3
[M+CH3COO]- 283.88862 183.5
[M+Na-2H]- 245.84944 136.8
[M]+ 224.87422 148.2
[M]- 224.87532 148.2
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

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