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]+ 301.84722 132.5
[M+Na]+ 323.82916 139.4
[M-H]- 299.83266 130.3
[M+NH4]+ 318.87376 149.9
[M+K]+ 339.80310 134.6
[M+H-H2O]+ 283.83720 128.5
[M+HCOO]- 345.83814 148.7
[M+CH3COO]- 359.85379 188.8
[M+Na-2H]- 321.81461 130.3
[M]+ 300.83939 146.5
[M]- 300.84049 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