CID 67537

2-iodosobenzoic acid

Structural Information

Molecular Formula
C7H5IO3
SMILES
C1=CC=C(C(=C1)C(=O)O)I=O
InChI
InChI=1S/C7H5IO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10)
InChIKey
IFPHDUVGLXEIOQ-UHFFFAOYSA-N
Compound name
2-iodosylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

53
References

2634
Patents

263.92834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.93562 138.8
[M+Na]+ 286.91756 140.2
[M-H]- 262.92106 134.5
[M+NH4]+ 281.96216 153.9
[M+K]+ 302.89150 144.2
[M+H-H2O]+ 246.92560 129.8
[M+HCOO]- 308.92654 157.0
[M+CH3COO]- 322.94219 180.9
[M+Na-2H]- 284.90301 132.7
[M]+ 263.92779 136.1
[M]- 263.92889 136.1
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.