CID 22317463

4-bromo-2-ethylpyridine

Structural Information

Molecular Formula
C7H8BrN
SMILES
CCC1=NC=CC(=C1)Br
InChI
InChI=1S/C7H8BrN/c1-2-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3
InChIKey
TVRGNBFSOZCSSE-UHFFFAOYSA-N
Compound name
4-bromo-2-ethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

184.98401 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99129 128.2
[M+Na]+ 207.97323 140.7
[M-H]- 183.97673 133.6
[M+NH4]+ 203.01783 150.8
[M+K]+ 223.94717 130.3
[M+H-H2O]+ 167.98127 128.6
[M+HCOO]- 229.98221 149.8
[M+CH3COO]- 243.99786 179.9
[M+Na-2H]- 205.95868 138.1
[M]+ 184.98346 147.1
[M]- 184.98456 147.1
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