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]+ 249.935956 135.5
[M+Na]+ 271.917898 137.8
[M-H]- 247.921404 132.9
[M+NH4]+ 266.962503 152.0
[M+K]+ 287.891838 142.5
[M+H-H2O]+ 231.925940 126.3
[M+HCOO]- 293.926881 157.0
[M+CH3COO]- 307.942531 184.2
[M+Na-2H]- 269.903346 131.1
[M]+ 248.92813142 133.8
[M]- 248.92922858 133.8
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.