CID 42553082

2-bromo-3,5-diiodopyridine

Structural Information

Molecular Formula
C5H2BrI2N
SMILES
C1=C(C=NC(=C1I)Br)I
InChI
InChI=1S/C5H2BrI2N/c6-5-4(8)1-3(7)2-9-5/h1-2H
InChIKey
SCQXRSNMDARXSB-UHFFFAOYSA-N
Compound name
2-bromo-3,5-diiodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.746 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.75328 136.9
[M+Na]+ 431.73522 135.5
[M-H]- 407.73872 130.8
[M+NH4]+ 426.77982 148.0
[M+K]+ 447.70916 137.8
[M+H-H2O]+ 391.74326 130.7
[M+HCOO]- 453.74420 147.7
[M+CH3COO]- 467.75985 203.1
[M+Na-2H]- 429.72067 128.9
[M]+ 408.74545 147.1
[M]- 408.74655 147.1
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.