CID 23437029

3-bromo-4-ethynylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe