CID 248910

Methyl 5-iodosalicylate

Structural Information

Molecular Formula
C8H7IO3
SMILES
COC(=O)C1=C(C=CC(=C1)I)O
InChI
InChI=1S/C8H7IO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
InChIKey
NRSWJTRJHPRZMH-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-5-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

277.944 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95128 144.9
[M+Na]+ 300.93322 149.5
[M+NH4]+ 295.97782 148.2
[M+K]+ 316.90716 147.7
[M-H]- 276.93672 139.6
[M+Na-2H]- 298.91867 137.8
[M]+ 277.94345 142.9
[M]- 277.94455 142.9
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

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