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

2649
Patents

263.92834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.935616 138.8
[M+Na]+ 286.917558 140.2
[M-H]- 262.921064 134.5
[M+NH4]+ 281.962163 153.9
[M+K]+ 302.891498 144.2
[M+H-H2O]+ 246.925600 129.8
[M+HCOO]- 308.926541 157.0
[M+CH3COO]- 322.942191 180.9
[M+Na-2H]- 284.903006 132.7
[M]+ 263.92779142 136.1
[M]- 263.92888858 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

literature stripe

Patent stripe

patents stripe