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

136
Patents

234.94942 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.95670 129.6
[M+Na]+ 257.93864 131.8
[M-H]- 233.94214 125.3
[M+NH4]+ 252.98324 145.6
[M+K]+ 273.91258 136.6
[M+H-H2O]+ 217.94668 120.0
[M+HCOO]- 279.94762 148.7
[M+CH3COO]- 293.96327 180.0
[M+Na-2H]- 255.92409 126.2
[M]+ 234.94887 128.2
[M]- 234.94997 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