CID 3047428

63538-26-1

Structural Information

Molecular Formula
C32H44Cl2O7
SMILES
CCCCCCC(C(=O)OCC)OC1=C(C=C(C=C1)OC2=CC(=C(C=C2)OC(CCCCCC)C(=O)OCC)Cl)Cl
InChI
InChI=1S/C32H44Cl2O7/c1-5-9-11-13-15-29(31(35)37-7-3)40-27-19-17-23(21-25(27)33)39-24-18-20-28(26(34)22-24)41-30(32(36)38-8-4)16-14-12-10-6-2/h17-22,29-30H,5-16H2,1-4H3
InChIKey
LWCSVPCEPIMFKZ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-chloro-4-[3-chloro-4-(1-ethoxy-1-oxooctan-2-yl)oxyphenoxy]phenoxy]octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.2464 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.25368 245.3
[M+Na]+ 633.23562 255.5
[M+NH4]+ 628.28022 248.1
[M+K]+ 649.20956 247.8
[M-H]- 609.23912 245.9
[M+Na-2H]- 631.22107 246.9
[M]+ 610.24585 247.3
[M]- 610.24695 247.3
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.