CID 99850

3-iodo-4-nitrosophenol

Structural Information

Molecular Formula
C6H4INO2
SMILES
C1=CC(=C(C=C1O)I)N=O
InChI
InChI=1S/C6H4INO2/c7-5-3-4(9)1-2-6(5)8-10/h1-3,9H
InChIKey
CCAMOKMWECRXDF-UHFFFAOYSA-N
Compound name
3-iodo-4-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.92868 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.93596 136.4
[M+Na]+ 271.91790 141.4
[M+NH4]+ 266.96250 140.4
[M+K]+ 287.89184 138.9
[M-H]- 247.92140 132.4
[M+Na-2H]- 269.90335 130.8
[M]+ 248.92813 134.8
[M]- 248.92923 134.8
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

No patent data available for this compound.