CID 119084296

2-(bromomethyl)-6-iodopyridine

Structural Information

Molecular Formula
C6H5BrIN
SMILES
C1=CC(=NC(=C1)I)CBr
InChI
InChI=1S/C6H5BrIN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
InChIKey
SQJQBOJFCSYMCR-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.86502 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.87230 135.3
[M+Na]+ 319.85424 141.0
[M-H]- 295.85774 133.9
[M+NH4]+ 314.89884 152.7
[M+K]+ 335.82818 136.4
[M+H-H2O]+ 279.86228 131.9
[M+HCOO]- 341.86322 152.2
[M+CH3COO]- 355.87887 188.1
[M+Na-2H]- 317.83969 133.7
[M]+ 296.86447 150.4
[M]- 296.86557 150.4
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