CID 57899322

3-fluoro-2-iodo-5-methylpyridine

Structural Information

Molecular Formula
C6H5FIN
SMILES
CC1=CC(=C(N=C1)I)F
InChI
InChI=1S/C6H5FIN/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKey
LVAVXBUDSTVRDQ-UHFFFAOYSA-N
Compound name
3-fluoro-2-iodo-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

236.94507 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.95235 125.7
[M+Na]+ 259.93429 129.0
[M-H]- 235.93779 120.5
[M+NH4]+ 254.97889 142.0
[M+K]+ 275.90823 132.9
[M+H-H2O]+ 219.94233 115.8
[M+HCOO]- 281.94327 143.7
[M+CH3COO]- 295.95892 181.8
[M+Na-2H]- 257.91974 121.5
[M]+ 236.94452 122.4
[M]- 236.94562 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