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]+ 195.975626 127.9
[M+Na]+ 217.957568 142.3
[M-H]- 193.961074 130.3
[M+NH4]+ 213.002173 147.4
[M+K]+ 233.931508 130.4
[M+H-H2O]+ 177.965610 121.9
[M+HCOO]- 239.966551 145.9
[M+CH3COO]- 253.982201 188.8
[M+Na-2H]- 215.943016 136.2
[M]+ 194.96780142 139.3
[M]- 194.96889858 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.