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

14
Patents

216.99023 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.99751 138.1
[M+Na]+ 239.97945 150.6
[M-H]- 215.98295 142.3
[M+NH4]+ 235.02405 159.4
[M+K]+ 255.95339 139.7
[M+H-H2O]+ 199.98749 137.7
[M+HCOO]- 261.98843 156.8
[M+CH3COO]- 276.00408 185.6
[M+Na-2H]- 237.96490 147.0
[M]+ 216.98968 155.6
[M]- 216.99078 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