CID 12286

3-bromopyridine

Structural Information

Molecular Formula
C5H4BrN
SMILES
C1=CC(=CN=C1)Br
InChI
InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
InChIKey
NYPYPOZNGOXYSU-UHFFFAOYSA-N
Compound name
3-bromopyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

18280
Patents

156.95271 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.959986 119.5
[M+Na]+ 179.941928 131.9
[M-H]- 155.945434 124.8
[M+NH4]+ 174.986533 142.7
[M+K]+ 195.915868 122.0
[M+H-H2O]+ 139.949970 120.1
[M+HCOO]- 201.950911 141.7
[M+CH3COO]- 215.966561 173.3
[M+Na-2H]- 177.927376 131.1
[M]+ 156.95216142 137.3
[M]- 156.95325858 137.3
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