CID 217834

3-(4-chlorophenoxy)-2-hydroxypropyl (2-hydroxyphenoxy)acetate

Structural Information

Molecular Formula
C17H17ClO6
SMILES
C1=CC=C(C(=C1)O)OCC(=O)OCC(COC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C17H17ClO6/c18-12-5-7-14(8-6-12)22-9-13(19)10-24-17(21)11-23-16-4-2-1-3-15(16)20/h1-8,13,19-20H,9-11H2
InChIKey
DIVUTHOZPCQXID-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(2-hydroxyphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.07138 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07866 175.5
[M+Na]+ 375.06060 181.7
[M-H]- 351.06410 179.4
[M+NH4]+ 370.10520 187.6
[M+K]+ 391.03454 178.0
[M+H-H2O]+ 335.06864 168.5
[M+HCOO]- 397.06958 190.9
[M+CH3COO]- 411.08523 204.8
[M+Na-2H]- 373.04605 177.3
[M]+ 352.07083 181.7
[M]- 352.07193 181.7
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.