CID 119085336

4-bromo-2,6-diethynylpyridine

Structural Information

Molecular Formula
C9H4BrN
SMILES
C#CC1=CC(=CC(=N1)C#C)Br
InChI
InChI=1S/C9H4BrN/c1-3-8-5-7(10)6-9(4-2)11-8/h1-2,5-6H
InChIKey
WLCNHQGIBPIQET-UHFFFAOYSA-N
Compound name
4-bromo-2,6-diethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.95271 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.95999 139.0
[M+Na]+ 227.94193 153.0
[M-H]- 203.94543 140.4
[M+NH4]+ 222.98653 152.9
[M+K]+ 243.91587 142.1
[M+H-H2O]+ 187.94997 129.3
[M+HCOO]- 249.95091 150.8
[M+CH3COO]- 263.96656 209.7
[M+Na-2H]- 225.92738 143.0
[M]+ 204.95216 142.8
[M]- 204.95326 142.8
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.