CID 12913858

2-(2-bromoethyl)pyridine

Structural Information

Molecular Formula
C7H8BrN
SMILES
C1=CC=NC(=C1)CCBr
InChI
InChI=1S/C7H8BrN/c8-5-4-7-3-1-2-6-9-7/h1-3,6H,4-5H2
InChIKey
VZWCPLGFXOCGLM-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2366
Patents

184.98401 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99129 128.8
[M+Na]+ 207.97323 140.4
[M-H]- 183.97673 133.8
[M+NH4]+ 203.01783 151.0
[M+K]+ 223.94717 130.0
[M+H-H2O]+ 167.98127 129.0
[M+HCOO]- 229.98221 150.4
[M+CH3COO]- 243.99786 179.0
[M+Na-2H]- 205.95868 139.3
[M]+ 184.98346 147.3
[M]- 184.98456 147.3
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