CID 46839908

4-bromo-2-fluoro-3-iodopyridine

Structural Information

Molecular Formula
C5H2BrFIN
SMILES
C1=CN=C(C(=C1Br)I)F
InChI
InChI=1S/C5H2BrFIN/c6-3-1-2-9-5(7)4(3)8/h1-2H
InChIKey
QNCJOPUYVGQTNE-UHFFFAOYSA-N
Compound name
4-bromo-2-fluoro-3-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.83994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.847216 132.5
[M+Na]+ 323.829158 139.4
[M-H]- 299.832664 130.3
[M+NH4]+ 318.873763 149.9
[M+K]+ 339.803098 134.6
[M+H-H2O]+ 283.837200 128.5
[M+HCOO]- 345.838141 148.7
[M+CH3COO]- 359.853791 188.8
[M+Na-2H]- 321.814606 130.3
[M]+ 300.83939142 146.5
[M]- 300.84048858 146.5
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