CID 8388

5-iodosalicylic acid

Structural Information

Molecular Formula
C7H5IO3
SMILES
C1=CC(=C(C=C1I)C(=O)O)O
InChI
InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey
SWDNKOFGNPGRPI-UHFFFAOYSA-N
Compound name
2-hydroxy-5-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1103
Patents

263.92834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.935616 140.5
[M+Na]+ 286.917558 142.1
[M-H]- 262.921064 135.3
[M+NH4]+ 281.962163 155.3
[M+K]+ 302.891498 146.0
[M+H-H2O]+ 246.925600 132.0
[M+HCOO]- 308.926541 157.1
[M+CH3COO]- 322.942191 180.4
[M+Na-2H]- 284.903006 133.2
[M]+ 263.92779142 137.1
[M]- 263.92888858 137.1
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