CID 6457537

Methyl 2-(4-iodophenoxy)acetate

Structural Information

Molecular Formula
C9H9IO3
SMILES
COC(=O)COC1=CC=C(C=C1)I
InChI
InChI=1S/C9H9IO3/c1-12-9(11)6-13-8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKey
PPKVJSVJTVHTOY-UHFFFAOYSA-N
Compound name
methyl 2-(4-iodophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

291.95963 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.966906 148.4
[M+Na]+ 314.948848 149.3
[M-H]- 290.952354 145.1
[M+NH4]+ 309.993453 163.3
[M+K]+ 330.922788 154.3
[M+H-H2O]+ 274.956890 138.8
[M+HCOO]- 336.957831 167.3
[M+CH3COO]- 350.973481 189.2
[M+Na-2H]- 312.934296 141.8
[M]+ 291.95908142 148.9
[M]- 291.96017858 148.9
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