CID 67231

131-62-4

Structural Information

Molecular Formula
C7H5IO3
SMILES
C1=CC=C2C(=C1)C(=O)OI2O
InChI
InChI=1S/C7H5IO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,10H
InChIKey
AZJIXRYFAZOEMC-UHFFFAOYSA-N
Compound name
1-hydroxy-1lambda3,2-benziodoxol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

263.92834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.93562 133.6
[M+Na]+ 286.91756 136.5
[M-H]- 262.92106 131.0
[M+NH4]+ 281.96216 150.6
[M+K]+ 302.89150 141.0
[M+H-H2O]+ 246.92560 125.7
[M+HCOO]- 308.92654 151.2
[M+CH3COO]- 322.94219 180.0
[M+Na-2H]- 284.90301 129.3
[M]+ 263.92779 131.6
[M]- 263.92889 131.6
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.