CID 11776298

2-fluoro-4-iodo-3-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

236.94507 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe