CID 217835

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

Structural Information

Molecular Formula
C17H16Cl2O5
SMILES
C1=CC(=CC=C1OCC(COC(=O)COC2=CC=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C17H16Cl2O5/c18-12-1-5-15(6-2-12)22-9-14(20)10-24-17(21)11-23-16-7-3-13(19)4-8-16/h1-8,14,20H,9-11H2
InChIKey
ODBNWGMVGAERAT-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-2-hydroxypropyl] 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.03748 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04476 177.0
[M+Na]+ 393.02670 184.3
[M-H]- 369.03020 181.7
[M+NH4]+ 388.07130 189.8
[M+K]+ 409.00064 179.5
[M+H-H2O]+ 353.03474 170.8
[M+HCOO]- 415.03568 188.8
[M+CH3COO]- 429.05133 209.1
[M+Na-2H]- 391.01215 178.6
[M]+ 370.03693 185.0
[M]- 370.03803 185.0
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.