CID 10976148

241481-87-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.96835 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.97563 127.9
[M+Na]+ 205.95757 139.5
[M-H]- 181.96107 133.0
[M+NH4]+ 201.00217 150.0
[M+K]+ 221.93151 128.9
[M+H-H2O]+ 165.96561 128.1
[M+HCOO]- 227.96655 148.7
[M+CH3COO]- 241.98220 178.8
[M+Na-2H]- 203.94302 137.2
[M]+ 182.96780 145.1
[M]- 182.96890 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.