CID 165945488

3-bromo-5-ethynyl-2-methoxypyridine

Structural Information

Molecular Formula
C8H6BrNO
SMILES
COC1=C(C=C(C=N1)C#C)Br
InChI
InChI=1S/C8H6BrNO/c1-3-6-4-7(9)8(11-2)10-5-6/h1,4-5H,2H3
InChIKey
JBEBYKRVQNONAF-UHFFFAOYSA-N
Compound name
3-bromo-5-ethynyl-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.96329 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 129.2
[M+Na]+ 233.95251 144.1
[M-H]- 209.95601 131.9
[M+NH4]+ 228.99711 148.3
[M+K]+ 249.92645 132.7
[M+H-H2O]+ 193.96055 123.1
[M+HCOO]- 255.96149 147.4
[M+CH3COO]- 269.97714 191.9
[M+Na-2H]- 231.93796 136.9
[M]+ 210.96274 142.1
[M]- 210.96384 142.1
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.