CID 101840

Iodoxybenzene

Structural Information

Molecular Formula
C6H5IO2
SMILES
C1=CC=C(C=C1)I(=O)=O
InChI
InChI=1S/C6H5IO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
BDOLQESNFGCNSC-UHFFFAOYSA-N
Compound name
iodylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

331
Patents

235.93343 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.94071 129.5
[M+Na]+ 258.92265 130.9
[M-H]- 234.92615 126.3
[M+NH4]+ 253.96725 146.2
[M+K]+ 274.89659 135.6
[M+H-H2O]+ 218.93069 120.5
[M+HCOO]- 280.93163 149.3
[M+CH3COO]- 294.94728 177.6
[M+Na-2H]- 256.90810 125.2
[M]+ 235.93288 126.6
[M]- 235.93398 126.6
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

No patent data available for this compound.