CID 124702524

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

Structural Information

Molecular Formula
C8H6BrN
SMILES
CC#CC1=CN=C(C=C1)Br
InChI
InChI=1S/C8H6BrN/c1-2-3-7-4-5-8(9)10-6-7/h4-6H,1H3
InChIKey
JRXLWCYBMLBJNJ-UHFFFAOYSA-N
Compound name
2-bromo-5-prop-1-ynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.96835 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.97563 127.9
[M+Na]+ 217.95757 142.3
[M-H]- 193.96107 130.3
[M+NH4]+ 213.00217 147.4
[M+K]+ 233.93151 130.4
[M+H-H2O]+ 177.96561 121.9
[M+HCOO]- 239.96655 145.9
[M+CH3COO]- 253.98220 188.8
[M+Na-2H]- 215.94302 136.2
[M]+ 194.96780 139.3
[M]- 194.96890 139.3
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.