CID 817173

2-iodo-3-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

234.94942 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe