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
3
Annotation Hits

27
References

15359
Patents

156.95271 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.95999 121.3
[M+Na]+ 179.94193 126.1
[M+NH4]+ 174.98653 127.4
[M+K]+ 195.91587 125.5
[M-H]- 155.94543 122.3
[M+Na-2H]- 177.92738 127.2
[M]+ 156.95216 121.1
[M]- 156.95326 121.1
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