CID 11334637

2,6-dibromo-3-methoxypyridine

Structural Information

Molecular Formula
C6H5Br2NO
SMILES
COC1=C(N=C(C=C1)Br)Br
InChI
InChI=1S/C6H5Br2NO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKey
JFWDQTIVECPBDE-UHFFFAOYSA-N
Compound name
2,6-dibromo-3-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

264.87378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.881056 128.1
[M+Na]+ 287.862998 140.3
[M-H]- 263.866504 134.4
[M+NH4]+ 282.907603 147.7
[M+K]+ 303.836938 125.8
[M+H-H2O]+ 247.871040 136.4
[M+HCOO]- 309.871981 144.8
[M+CH3COO]- 323.887631 198.4
[M+Na-2H]- 285.848446 137.3
[M]+ 264.87323142 163.3
[M]- 264.87432858 163.3
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

patents stripe