CID 11219023

3-(bromomethyl)-2,6-dichloro-5-methylpyridine

Structural Information

Molecular Formula
C7H6BrCl2N
SMILES
CC1=CC(=C(N=C1Cl)Cl)CBr
InChI
InChI=1S/C7H6BrCl2N/c1-4-2-5(3-8)7(10)11-6(4)9/h2H,3H2,1H3
InChIKey
OPWRJGHHMXERJW-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,6-dichloro-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.90607 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.913346 136.3
[M+Na]+ 275.895288 151.9
[M-H]- 251.898794 141.4
[M+NH4]+ 270.939893 158.0
[M+K]+ 291.869228 138.0
[M+H-H2O]+ 235.903330 138.0
[M+HCOO]- 297.904271 148.5
[M+CH3COO]- 311.919921 190.0
[M+Na-2H]- 273.880736 143.8
[M]+ 252.90552142 158.0
[M]- 252.90661858 158.0
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

No patent data available for this compound.