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]+ 213.98621 134.2
[M+Na]+ 235.96815 146.5
[M-H]- 211.97165 139.4
[M+NH4]+ 231.01275 155.5
[M+K]+ 251.94209 135.6
[M+H-H2O]+ 195.97619 134.2
[M+HCOO]- 257.97713 155.9
[M+CH3COO]- 271.99278 183.7
[M+Na-2H]- 233.95360 143.5
[M]+ 212.97838 154.0
[M]- 212.97948 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.