CID 9966011

5-bromo-2-iodo-3-methylpyridine

Structural Information

Molecular Formula
C6H5BrIN
SMILES
CC1=CC(=CN=C1I)Br
InChI
InChI=1S/C6H5BrIN/c1-4-2-5(7)3-9-6(4)8/h2-3H,1H3
InChIKey
SWEVEMCJHLQDTR-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

296.86502 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.87230 136.5
[M+Na]+ 319.85424 135.4
[M+NH4]+ 314.89884 138.6
[M+K]+ 335.82818 137.4
[M-H]- 295.85774 132.2
[M+Na-2H]- 317.83969 130.7
[M]+ 296.86447 133.2
[M]- 296.86557 133.2
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

patents stripe