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

literature stripe

Patent stripe

patents stripe