CID 130784554

3-fluoro-5-iodo-4-methylpyridine

Structural Information

Molecular Formula
C6H5FIN
SMILES
CC1=C(C=NC=C1F)I
InChI
InChI=1S/C6H5FIN/c1-4-5(7)2-9-3-6(4)8/h2-3H,1H3
InChIKey
WWDFFDCBLBEPLB-UHFFFAOYSA-N
Compound name
3-fluoro-5-iodo-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

236.94507 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.952346 125.7
[M+Na]+ 259.934288 129.0
[M-H]- 235.937794 120.5
[M+NH4]+ 254.978893 142.0
[M+K]+ 275.908228 132.9
[M+H-H2O]+ 219.942330 115.8
[M+HCOO]- 281.943271 143.7
[M+CH3COO]- 295.958921 181.8
[M+Na-2H]- 257.919736 121.5
[M]+ 236.94452142 122.4
[M]- 236.94561858 122.4
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

patents stripe