CID 66793654

3-bromo-4-ethenylpyridine

Structural Information

Molecular Formula
C7H6BrN
SMILES
C=CC1=C(C=NC=C1)Br
InChI
InChI=1S/C7H6BrN/c1-2-6-3-4-9-5-7(6)8/h2-5H,1H2
InChIKey
DAXBDHDRYNQWAG-UHFFFAOYSA-N
Compound name
3-bromo-4-ethenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

182.96835 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.97563 126.6
[M+Na]+ 205.95757 139.4
[M-H]- 181.96107 132.1
[M+NH4]+ 201.00217 149.1
[M+K]+ 221.93151 128.4
[M+H-H2O]+ 165.96561 127.1
[M+HCOO]- 227.96655 148.4
[M+CH3COO]- 241.98220 179.1
[M+Na-2H]- 203.94302 136.5
[M]+ 182.96780 144.8
[M]- 182.96890 144.8
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