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]+ 253.91335 136.3
[M+Na]+ 275.89529 151.9
[M-H]- 251.89879 141.4
[M+NH4]+ 270.93989 158.0
[M+K]+ 291.86923 138.0
[M+H-H2O]+ 235.90333 138.0
[M+HCOO]- 297.90427 148.5
[M+CH3COO]- 311.91992 190.0
[M+Na-2H]- 273.88074 143.8
[M]+ 252.90552 158.0
[M]- 252.90662 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.