CID 86726333

5-fluoro-4-iodopyridin-3-amine

Structural Information

Molecular Formula
C5H4FIN2
SMILES
C1=C(C(=C(C=N1)F)I)N
InChI
InChI=1S/C5H4FIN2/c6-3-1-9-2-4(8)5(3)7/h1-2H,8H2
InChIKey
DYAATERKBWCJIL-UHFFFAOYSA-N
Compound name
5-fluoro-4-iodopyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

237.94032 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.94760 130.3
[M+Na]+ 260.92954 133.0
[M-H]- 236.93304 124.7
[M+NH4]+ 255.97414 145.9
[M+K]+ 276.90348 136.7
[M+H-H2O]+ 220.93758 119.9
[M+HCOO]- 282.93852 148.8
[M+CH3COO]- 296.95417 182.7
[M+Na-2H]- 258.91499 125.3
[M]+ 237.93977 124.8
[M]- 237.94087 124.8
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