CID 217833

3-(4-chlorophenoxy)-2-hydroxypropyl phenoxyacetate

Structural Information

Molecular Formula
C17H17ClO5
SMILES
C1=CC=C(C=C1)OCC(=O)OCC(COC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C17H17ClO5/c18-13-6-8-16(9-7-13)21-10-14(19)11-23-17(20)12-22-15-4-2-1-3-5-15/h1-9,14,19H,10-12H2
InChIKey
SKBZLJUGMJENAD-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.07645 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08373 173.7
[M+Na]+ 359.06567 179.6
[M-H]- 335.06917 178.6
[M+NH4]+ 354.11027 186.9
[M+K]+ 375.03961 175.8
[M+H-H2O]+ 319.07371 166.3
[M+HCOO]- 381.07465 190.4
[M+CH3COO]- 395.09030 203.7
[M+Na-2H]- 357.05112 176.4
[M]+ 336.07590 179.8
[M]- 336.07700 179.8
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

No patent data available for this compound.