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 135.5
[M+Na]+ 271.91790 137.8
[M-H]- 247.92140 132.9
[M+NH4]+ 266.96250 152.0
[M+K]+ 287.89184 142.5
[M+H-H2O]+ 231.92594 126.3
[M+HCOO]- 293.92688 157.0
[M+CH3COO]- 307.94253 184.2
[M+Na-2H]- 269.90335 131.1
[M]+ 248.92813 133.8
[M]- 248.92923 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.