CID 10059219

4-bromo-2,3-dimethoxypyridine

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
COC1=C(C=CN=C1OC)Br
InChI
InChI=1S/C7H8BrNO2/c1-10-6-5(8)3-4-9-7(6)11-2/h3-4H,1-2H3
InChIKey
ANXFZVZPRQFCHO-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

216.97385 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.981126 133.3
[M+Na]+ 239.963068 146.4
[M-H]- 215.966574 139.0
[M+NH4]+ 235.007673 154.7
[M+K]+ 255.937008 136.8
[M+H-H2O]+ 199.971110 133.2
[M+HCOO]- 261.972051 155.2
[M+CH3COO]- 275.987701 184.7
[M+Na-2H]- 237.948516 142.4
[M]+ 216.97330142 155.1
[M]- 216.97439858 155.1
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