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

1
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

patents stripe