CID 45588151

6-bromo-3-iodo-2-methylpyridine

Structural Information

Molecular Formula
C6H5BrIN
SMILES
CC1=C(C=CC(=N1)Br)I
InChI
InChI=1S/C6H5BrIN/c1-4-5(8)2-3-6(7)9-4/h2-3H,1H3
InChIKey
OAMMRCVVCVNSEN-UHFFFAOYSA-N
Compound name
6-bromo-3-iodo-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 134.1
[M+Na]+ 319.85424 140.6
[M-H]- 295.85774 133.1
[M+NH4]+ 314.89884 151.8
[M+K]+ 335.82818 136.0
[M+H-H2O]+ 279.86228 130.9
[M+HCOO]- 341.86322 151.0
[M+CH3COO]- 355.87887 189.1
[M+Na-2H]- 317.83969 132.0
[M]+ 296.86447 149.5
[M]- 296.86557 149.5
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

No patent data available for this compound.