CID 642860

3-bromo-2,6-dimethoxypyridine

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
COC1=NC(=C(C=C1)Br)OC
InChI
InChI=1S/C7H8BrNO2/c1-10-6-4-3-5(8)7(9-6)11-2/h3-4H,1-2H3
InChIKey
UUTYQBCAEWGFQL-UHFFFAOYSA-N
Compound name
3-bromo-2,6-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

216.97385 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 136.2
[M+Na]+ 239.96307 140.5
[M+NH4]+ 235.00767 141.0
[M+K]+ 255.93701 140.6
[M-H]- 215.96657 136.4
[M+Na-2H]- 237.94852 140.3
[M]+ 216.97330 135.7
[M]- 216.97440 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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