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]+ 215.98188 137.2
[M+Na]+ 237.96382 151.7
[M-H]- 213.96732 145.3
[M+NH4]+ 233.00842 155.6
[M+K]+ 253.93776 141.1
[M+H-H2O]+ 197.97186 136.5
[M+HCOO]- 259.97280 157.9
[M+CH3COO]- 273.98845 152.7
[M+Na-2H]- 235.94927 146.8
[M]+ 214.97405 156.0
[M]- 214.97515 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