CID 91759511

3-bromo-2,6-dichloro-4-methylpyridine

Structural Information

Molecular Formula
C6H4BrCl2N
SMILES
CC1=CC(=NC(=C1Br)Cl)Cl
InChI
InChI=1S/C6H4BrCl2N/c1-3-2-4(8)10-6(9)5(3)7/h2H,1H3
InChIKey
GWIKWGBKSWHTOX-UHFFFAOYSA-N
Compound name
3-bromo-2,6-dichloro-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.89043 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.897706 131.7
[M+Na]+ 261.879648 147.6
[M-H]- 237.883154 136.9
[M+NH4]+ 256.924253 153.8
[M+K]+ 277.853588 134.0
[M+H-H2O]+ 221.887690 133.6
[M+HCOO]- 283.888631 144.1
[M+CH3COO]- 297.904281 187.3
[M+Na-2H]- 259.865096 139.7
[M]+ 238.88988142 153.0
[M]- 238.89097858 153.0
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