CID 73554898

2-fluoro-4-iodo-3,5-dimethylpyridine

Structural Information

Molecular Formula
C7H7FIN
SMILES
CC1=CN=C(C(=C1I)C)F
InChI
InChI=1S/C7H7FIN/c1-4-3-10-7(8)5(2)6(4)9/h3H,1-2H3
InChIKey
CYQKRZFLGRUHEI-UHFFFAOYSA-N
Compound name
2-fluoro-4-iodo-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

250.96072 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.967996 129.4
[M+Na]+ 273.949938 133.1
[M-H]- 249.953444 124.5
[M+NH4]+ 268.994543 145.5
[M+K]+ 289.923878 136.9
[M+H-H2O]+ 233.957980 119.5
[M+HCOO]- 295.958921 147.1
[M+CH3COO]- 309.974571 185.7
[M+Na-2H]- 271.935386 124.0
[M]+ 250.96017142 126.8
[M]- 250.96126858 126.8
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