CID 84819927

2-bromo-3-(bromomethyl)-6-methylpyridine

Structural Information

Molecular Formula
C7H7Br2N
SMILES
CC1=NC(=C(C=C1)CBr)Br
InChI
InChI=1S/C7H7Br2N/c1-5-2-3-6(4-8)7(9)10-5/h2-3H,4H2,1H3
InChIKey
XISNTVRKJPPFGH-UHFFFAOYSA-N
Compound name
2-bromo-3-(bromomethyl)-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.89453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.901806 130.1
[M+Na]+ 285.883748 142.2
[M-H]- 261.887254 136.3
[M+NH4]+ 280.928353 149.9
[M+K]+ 301.857688 127.1
[M+H-H2O]+ 245.891790 138.5
[M+HCOO]- 307.892731 146.4
[M+CH3COO]- 321.908381 199.2
[M+Na-2H]- 283.869196 138.9
[M]+ 262.89398142 164.5
[M]- 262.89507858 164.5
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