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

123
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 129.8
[M+Na]+ 207.97323 134.6
[M+NH4]+ 203.01783 135.6
[M+K]+ 223.94717 133.7
[M-H]- 183.97673 130.9
[M+Na-2H]- 205.95868 135.0
[M]+ 184.98346 129.7
[M]- 184.98456 129.7
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

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