CID 165655770

2-bromo-5-(but-3-yn-1-yl)pyridine

Structural Information

Molecular Formula
C9H8BrN
SMILES
C#CCCC1=CN=C(C=C1)Br
InChI
InChI=1S/C9H8BrN/c1-2-3-4-8-5-6-9(10)11-7-8/h1,5-7H,3-4H2
InChIKey
PXODDZXNFLRDAP-UHFFFAOYSA-N
Compound name
2-bromo-5-but-3-ynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.98401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99129 131.6
[M+Na]+ 231.97323 145.6
[M-H]- 207.97673 133.9
[M+NH4]+ 227.01783 150.6
[M+K]+ 247.94717 133.4
[M+H-H2O]+ 191.98127 125.4
[M+HCOO]- 253.98221 149.3
[M+CH3COO]- 267.99786 191.8
[M+Na-2H]- 229.95868 139.4
[M]+ 208.98346 143.4
[M]- 208.98456 143.4
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.