CID 2783168

5-bromo-2-fluoropyridine

Structural Information

Molecular Formula
C5H3BrFN
SMILES
C1=CC(=NC=C1Br)F
InChI
InChI=1S/C5H3BrFN/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey
MYUQKYGWKHTRPG-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4239
Patents

174.94328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.950556 122.7
[M+Na]+ 197.932498 136.0
[M-H]- 173.936004 127.1
[M+NH4]+ 192.977103 145.5
[M+K]+ 213.906438 125.6
[M+H-H2O]+ 157.940540 122.5
[M+HCOO]- 219.941481 143.9
[M+CH3COO]- 233.957131 176.8
[M+Na-2H]- 195.917946 133.0
[M]+ 174.94273142 139.8
[M]- 174.94382858 139.8
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