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

19
Patents

216.97385 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.98113 133.3
[M+Na]+ 239.96307 146.4
[M-H]- 215.96657 139.0
[M+NH4]+ 235.00767 154.7
[M+K]+ 255.93701 136.8
[M+H-H2O]+ 199.97111 133.2
[M+HCOO]- 261.97205 155.2
[M+CH3COO]- 275.98770 184.7
[M+Na-2H]- 237.94852 142.4
[M]+ 216.97330 155.1
[M]- 216.97440 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