CID 217837

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

Structural Information

Molecular Formula
C18H18Cl2O5
SMILES
CC(C(=O)OCC(COC1=CC=C(C=C1)Cl)O)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H18Cl2O5/c1-12(25-17-8-4-14(20)5-9-17)18(22)24-11-15(21)10-23-16-6-2-13(19)3-7-16/h2-9,12,15,21H,10-11H2,1H3
InChIKey
DXWPQJIDDJPZQO-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(4-chlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.05313 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06041 180.8
[M+Na]+ 407.04235 187.4
[M-H]- 383.04585 185.4
[M+NH4]+ 402.08695 193.0
[M+K]+ 423.01629 182.9
[M+H-H2O]+ 367.05039 174.6
[M+HCOO]- 429.05133 191.3
[M+CH3COO]- 443.06698 212.9
[M+Na-2H]- 405.02780 180.8
[M]+ 384.05258 188.6
[M]- 384.05368 188.6
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.