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

93
Patents

264.87378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.88106 128.1
[M+Na]+ 287.86300 140.3
[M-H]- 263.86650 134.4
[M+NH4]+ 282.90760 147.7
[M+K]+ 303.83694 125.8
[M+H-H2O]+ 247.87104 136.4
[M+HCOO]- 309.87198 144.8
[M+CH3COO]- 323.88763 198.4
[M+Na-2H]- 285.84845 137.3
[M]+ 264.87323 163.3
[M]- 264.87433 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