CID 130133375

3-bromo-2-chloro-5-iodo-4-methylpyridine

Structural Information

Molecular Formula
C6H4BrClIN
SMILES
CC1=C(C(=NC=C1I)Cl)Br
InChI
InChI=1S/C6H4BrClIN/c1-3-4(9)2-10-6(8)5(3)7/h2H,1H3
InChIKey
ROXYNJKRFFFOCI-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-5-iodo-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.82605 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.83333 135.9
[M+Na]+ 353.81527 144.1
[M-H]- 329.81877 135.1
[M+NH4]+ 348.85987 153.4
[M+K]+ 369.78921 137.7
[M+H-H2O]+ 313.82331 133.5
[M+HCOO]- 375.82425 148.7
[M+CH3COO]- 389.83990 193.4
[M+Na-2H]- 351.80072 133.1
[M]+ 330.82550 153.3
[M]- 330.82660 153.3
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.