CID 23047001

2-hydroxy-6-iodobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

263.92834 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe