CID 11346465

Methyl 4-hydroxy-3-iodobenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

422
Patents

277.944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.951276 143.7
[M+Na]+ 300.933218 145.4
[M-H]- 276.936724 139.7
[M+NH4]+ 295.977823 158.7
[M+K]+ 316.907158 149.9
[M+H-H2O]+ 260.941260 134.8
[M+HCOO]- 322.942201 161.5
[M+CH3COO]- 336.957851 185.0
[M+Na-2H]- 298.918666 136.5
[M]+ 277.94345142 142.4
[M]- 277.94454858 142.4
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