CID 103847549

2-bromo-5-(prop-2-en-1-yloxy)pyridine

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C=CCOC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H8BrNO/c1-2-5-11-7-3-4-8(9)10-6-7/h2-4,6H,1,5H2
InChIKey
VRAFPHWPJIZVBI-UHFFFAOYSA-N
Compound name
2-bromo-5-prop-2-enoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 134.2
[M+Na]+ 235.968148 146.5
[M-H]- 211.971654 139.4
[M+NH4]+ 231.012753 155.5
[M+K]+ 251.942088 135.6
[M+H-H2O]+ 195.976190 134.2
[M+HCOO]- 257.977131 155.9
[M+CH3COO]- 271.992781 183.7
[M+Na-2H]- 233.953596 143.5
[M]+ 212.97838142 154.0
[M]- 212.97947858 154.0
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

No patent data available for this compound.