CID 1519406

5-bromo-3-iodo-2-methoxypyridine

Structural Information

Molecular Formula
C6H5BrINO
SMILES
COC1=C(C=C(C=N1)Br)I
InChI
InChI=1S/C6H5BrINO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
ZKVDYKJRRHTPLT-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

312.85992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.86720 140.8
[M+Na]+ 335.84914 139.2
[M+NH4]+ 330.89374 142.3
[M+K]+ 351.82308 141.5
[M-H]- 311.85264 136.0
[M+Na-2H]- 333.83459 134.4
[M]+ 312.85937 137.2
[M]- 312.86047 137.2
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