CID 23437053

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

Structural Information

Molecular Formula
C8H8BrN
SMILES
CC(=C)C1=CN=C(C=C1)Br
InChI
InChI=1S/C8H8BrN/c1-6(2)7-3-4-8(9)10-5-7/h3-5H,1H2,2H3
InChIKey
TUVPZXKIBHJGEV-UHFFFAOYSA-N
Compound name
2-bromo-5-prop-1-en-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

196.98401 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.991286 131.7
[M+Na]+ 219.973228 143.8
[M-H]- 195.976734 137.1
[M+NH4]+ 215.017833 153.7
[M+K]+ 235.947168 133.0
[M+H-H2O]+ 179.981270 132.0
[M+HCOO]- 241.982211 152.2
[M+CH3COO]- 255.997861 182.7
[M+Na-2H]- 217.958676 139.9
[M]+ 196.98346142 149.6
[M]- 196.98455858 149.6
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