CID 122163893

5-bromo-3-chloro-2-(chloromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C6H4BrCl2N
SMILES
C1=C(C=NC(=C1Cl)CCl)Br
InChI
InChI=1S/C6H4BrCl2N/c7-4-1-5(9)6(2-8)10-3-4/h1,3H,2H2
InChIKey
PGXQJSNESLQPGM-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-2-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.89043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.897706 132.2
[M+Na]+ 261.879648 147.3
[M-H]- 237.883154 137.1
[M+NH4]+ 256.924253 154.1
[M+K]+ 277.853588 133.7
[M+H-H2O]+ 221.887690 133.9
[M+HCOO]- 283.888631 144.7
[M+CH3COO]- 297.904281 186.2
[M+Na-2H]- 259.865096 140.9
[M]+ 238.88988142 153.2
[M]- 238.89097858 153.2
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