CID 13979734

5-bromo-2-ethynylpyridine

Structural Information

Molecular Formula
C7H4BrN
SMILES
C#CC1=NC=C(C=C1)Br
InChI
InChI=1S/C7H4BrN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
InChIKey
VGLAJERHBBEPQP-UHFFFAOYSA-N
Compound name
5-bromo-2-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

180.95271 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.95999 123.5
[M+Na]+ 203.94193 138.2
[M-H]- 179.94543 126.1
[M+NH4]+ 198.98653 143.5
[M+K]+ 219.91587 126.6
[M+H-H2O]+ 163.94997 117.7
[M+HCOO]- 225.95091 141.9
[M+CH3COO]- 239.96656 186.8
[M+Na-2H]- 201.92738 132.4
[M]+ 180.95216 134.8
[M]- 180.95326 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe