CID 15683981

3-bromo-2,4-dichloropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

224.87477 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe