CID 24729313

2-(bromomethyl)-5-fluoropyridine hydrobromide

Structural Information

Molecular Formula
C6H5BrFN
SMILES
C1=CC(=NC=C1F)CBr
InChI
InChI=1S/C6H5BrFN/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKey
LTRPARICWZBDRI-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

188.95894 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.966216 127.4
[M+Na]+ 211.948158 140.3
[M-H]- 187.951664 131.6
[M+NH4]+ 206.992763 149.7
[M+K]+ 227.922098 129.7
[M+H-H2O]+ 171.956200 127.0
[M+HCOO]- 233.957141 148.3
[M+CH3COO]- 247.972791 179.6
[M+Na-2H]- 209.933606 137.1
[M]+ 188.95839142 144.8
[M]- 188.95948858 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe