CID 131194516

5-bromo-2-(1-fluorocyclopropyl)pyridine

Structural Information

Molecular Formula
C8H7BrFN
SMILES
C1CC1(C2=NC=C(C=C2)Br)F
InChI
InChI=1S/C8H7BrFN/c9-6-1-2-7(11-5-6)8(10)3-4-8/h1-2,5H,3-4H2
InChIKey
IBELEMBFMLSKAK-UHFFFAOYSA-N
Compound name
5-bromo-2-(1-fluorocyclopropyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.9746 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.981876 137.2
[M+Na]+ 237.963818 151.7
[M-H]- 213.967324 145.3
[M+NH4]+ 233.008423 155.6
[M+K]+ 253.937758 141.1
[M+H-H2O]+ 197.971860 136.5
[M+HCOO]- 259.972801 157.9
[M+CH3COO]- 273.988451 152.7
[M+Na-2H]- 235.949266 146.8
[M]+ 214.97405142 156.0
[M]- 214.97514858 156.0
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