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

25
Patents

263.92834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.93562 140.5
[M+Na]+ 286.91756 142.1
[M-H]- 262.92106 135.3
[M+NH4]+ 281.96216 155.3
[M+K]+ 302.89150 146.0
[M+H-H2O]+ 246.92560 132.0
[M+HCOO]- 308.92654 157.1
[M+CH3COO]- 322.94219 180.4
[M+Na-2H]- 284.90301 133.2
[M]+ 263.92779 137.1
[M]- 263.92889 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