CID 131676844

5-bromo-3-iodo-2,6-dimethoxypyridine

Structural Information

Molecular Formula
C7H7BrINO2
SMILES
COC1=C(C=C(C(=N1)OC)Br)I
InChI
InChI=1S/C7H7BrINO2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3
InChIKey
PCUWHMCUFIFGKE-UHFFFAOYSA-N
Compound name
3-bromo-5-iodo-2,6-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.87048 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.87776 145.9
[M+Na]+ 365.85970 152.4
[M-H]- 341.86320 144.9
[M+NH4]+ 360.90430 161.9
[M+K]+ 381.83364 148.5
[M+H-H2O]+ 325.86774 141.9
[M+HCOO]- 387.86868 162.6
[M+CH3COO]- 401.88433 196.2
[M+Na-2H]- 363.84515 142.2
[M]+ 342.86993 164.3
[M]- 342.87103 164.3
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.