CID 23423786

5-iodo-2-methoxypyridine

Structural Information

Molecular Formula
C6H6INO
SMILES
COC1=NC=C(C=C1)I
InChI
InChI=1S/C6H6INO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3
InChIKey
NTXRNCUPGYOZCN-UHFFFAOYSA-N
Compound name
5-iodo-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

234.94942 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.956696 129.6
[M+Na]+ 257.938638 131.8
[M-H]- 233.942144 125.3
[M+NH4]+ 252.983243 145.6
[M+K]+ 273.912578 136.6
[M+H-H2O]+ 217.946680 120.0
[M+HCOO]- 279.947621 148.7
[M+CH3COO]- 293.963271 180.0
[M+Na-2H]- 255.924086 126.2
[M]+ 234.94887142 128.2
[M]- 234.94996858 128.2
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