CID 217836

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

Structural Information

Molecular Formula
C18H19ClO5
SMILES
CC(C(=O)OCC(COC1=CC=C(C=C1)Cl)O)OC2=CC=CC=C2
InChI
InChI=1S/C18H19ClO5/c1-13(24-17-5-3-2-4-6-17)18(21)23-12-15(20)11-22-16-9-7-14(19)8-10-16/h2-10,13,15,20H,11-12H2,1H3
InChIKey
ULHXFYICWHXHGQ-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-phenoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0921 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09938 178.0
[M+Na]+ 373.08132 183.2
[M-H]- 349.08482 182.8
[M+NH4]+ 368.12592 190.6
[M+K]+ 389.05526 179.8
[M+H-H2O]+ 333.08936 170.6
[M+HCOO]- 395.09030 193.3
[M+CH3COO]- 409.10595 207.6
[M+Na-2H]- 371.06677 179.0
[M]+ 350.09155 183.9
[M]- 350.09265 183.9
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

No patent data available for this compound.