CID 165736884

3-(2-bromoethyl)-2-fluoropyridine

Structural Information

Molecular Formula
C7H7BrFN
SMILES
C1=CC(=C(N=C1)F)CCBr
InChI
InChI=1S/C7H7BrFN/c8-4-3-6-2-1-5-10-7(6)9/h1-2,5H,3-4H2
InChIKey
LPLUPDCAABGHPI-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.9746 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.981876 132.1
[M+Na]+ 225.963818 144.6
[M-H]- 201.967324 136.1
[M+NH4]+ 221.008423 153.8
[M+K]+ 241.937758 133.7
[M+H-H2O]+ 185.971860 131.5
[M+HCOO]- 247.972801 152.7
[M+CH3COO]- 261.988451 182.5
[M+Na-2H]- 223.949266 141.2
[M]+ 202.97405142 149.8
[M]- 202.97514858 149.8
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

No patent data available for this compound.