CID 42553025

2-bromo-3-iodo-5-methylpyridine

Structural Information

Molecular Formula
C6H5BrIN
SMILES
CC1=CC(=C(N=C1)Br)I
InChI
InChI=1S/C6H5BrIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey
JRDURDSKNUSNRW-UHFFFAOYSA-N
Compound name
2-bromo-3-iodo-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.86502 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe