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]+ 211.970566 129.2
[M+Na]+ 233.952508 144.1
[M-H]- 209.956014 131.9
[M+NH4]+ 228.997113 148.3
[M+K]+ 249.926448 132.7
[M+H-H2O]+ 193.960550 123.1
[M+HCOO]- 255.961491 147.4
[M+CH3COO]- 269.977141 191.9
[M+Na-2H]- 231.937956 136.9
[M]+ 210.96274142 142.1
[M]- 210.96383858 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.