CID 155970448

2-cyclobutyl-3-fluoro-4-iodopyridine

Structural Information

Molecular Formula
C9H9FIN
SMILES
C1CC(C1)C2=NC=CC(=C2F)I
InChI
InChI=1S/C9H9FIN/c10-8-7(11)4-5-12-9(8)6-2-1-3-6/h4-6H,1-3H2
InChIKey
OAQJUHTUPRQIAZ-UHFFFAOYSA-N
Compound name
2-cyclobutyl-3-fluoro-4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.97638 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98366 135.2
[M+Na]+ 299.96560 136.1
[M-H]- 275.96910 132.4
[M+NH4]+ 295.01020 143.8
[M+K]+ 315.93954 141.9
[M+H-H2O]+ 259.97364 119.7
[M+HCOO]- 321.97458 150.8
[M+CH3COO]- 335.99023 191.6
[M+Na-2H]- 297.95105 129.6
[M]+ 276.97583 138.4
[M]- 276.97693 138.4
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

No patent data available for this compound.