CID 13567752

3,5-dibromo-2-methoxypyridine

Structural Information

Molecular Formula
C6H5Br2NO
SMILES
COC1=C(C=C(C=N1)Br)Br
InChI
InChI=1S/C6H5Br2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
MBMQYTQCUCQJEH-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

264.87378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.88106 141.1
[M+Na]+ 287.86300 137.1
[M+NH4]+ 282.90760 143.4
[M+K]+ 303.83694 143.4
[M-H]- 263.86650 141.8
[M+Na-2H]- 285.84845 143.4
[M]+ 264.87323 139.7
[M]- 264.87433 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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Patent stripe

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