CID 12175133

5-bromo-2,4-dichloropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

224.87477 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.882046 127.5
[M+Na]+ 247.863988 143.1
[M-H]- 223.867494 132.6
[M+NH4]+ 242.908593 149.9
[M+K]+ 263.837928 129.7
[M+H-H2O]+ 207.872030 129.5
[M+HCOO]- 269.872971 140.3
[M+CH3COO]- 283.888621 183.5
[M+Na-2H]- 245.849436 136.8
[M]+ 224.87422142 148.2
[M]- 224.87531858 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

No literature data available for this compound.

Patent stripe

patents stripe