CID 84785899

4-bromo-2-(2-fluoropropan-2-yl)pyridine

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CC(C)(C1=NC=CC(=C1)Br)F
InChI
InChI=1S/C8H9BrFN/c1-8(2,10)7-5-6(9)3-4-11-7/h3-5H,1-2H3
InChIKey
NLZNEFMBOCQNDJ-UHFFFAOYSA-N
Compound name
4-bromo-2-(2-fluoropropan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

216.99023 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.997506 138.1
[M+Na]+ 239.979448 150.6
[M-H]- 215.982954 142.3
[M+NH4]+ 235.024053 159.4
[M+K]+ 255.953388 139.7
[M+H-H2O]+ 199.987490 137.7
[M+HCOO]- 261.988431 156.8
[M+CH3COO]- 276.004081 185.6
[M+Na-2H]- 237.964896 147.0
[M]+ 216.98968142 155.6
[M]- 216.99077858 155.6
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