CID 68277904

2-(1-bromoethyl)-3-fluoropyridine

Structural Information

Molecular Formula
C7H7BrFN
SMILES
CC(C1=C(C=CC=N1)F)Br
InChI
InChI=1S/C7H7BrFN/c1-5(8)7-6(9)3-2-4-10-7/h2-5H,1H3
InChIKey
RHORIPVIIQCCII-UHFFFAOYSA-N
Compound name
2-(1-bromoethyl)-3-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

202.9746 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.981876 132.7
[M+Na]+ 225.963818 144.9
[M-H]- 201.967324 136.8
[M+NH4]+ 221.008423 154.3
[M+K]+ 241.937758 134.4
[M+H-H2O]+ 185.971860 132.1
[M+HCOO]- 247.972801 152.3
[M+CH3COO]- 261.988451 183.2
[M+Na-2H]- 223.949266 140.6
[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

patents stripe