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

19
Patents

291.95963 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.96691 148.4
[M+Na]+ 314.94885 149.3
[M-H]- 290.95235 145.1
[M+NH4]+ 309.99345 163.3
[M+K]+ 330.92279 154.3
[M+H-H2O]+ 274.95689 138.8
[M+HCOO]- 336.95783 167.3
[M+CH3COO]- 350.97348 189.2
[M+Na-2H]- 312.93430 141.8
[M]+ 291.95908 148.9
[M]- 291.96018 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