CID 3047430

63538-28-3

Structural Information

Molecular Formula
C32H42Cl4O7
SMILES
CCCCCCC(C(=O)OCC)OC1=C(C=C(C=C1Cl)OC2=CC(=C(C(=C2)Cl)OC(CCCCCC)C(=O)OCC)Cl)Cl
InChI
InChI=1S/C32H42Cl4O7/c1-5-9-11-13-15-27(31(37)39-7-3)42-29-23(33)17-21(18-24(29)34)41-22-19-25(35)30(26(36)20-22)43-28(32(38)40-8-4)16-14-12-10-6-2/h17-20,27-28H,5-16H2,1-4H3
InChIKey
RBPVNFDMQBQDMY-UHFFFAOYSA-N
Compound name
ethyl 2-[2,6-dichloro-4-[3,5-dichloro-4-(1-ethoxy-1-oxooctan-2-yl)oxyphenoxy]phenoxy]octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.16846 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.17574 251.2
[M+Na]+ 701.15768 262.1
[M+NH4]+ 696.20228 253.9
[M+K]+ 717.13162 253.7
[M-H]- 677.16118 251.1
[M+Na-2H]- 699.14313 251.9
[M]+ 678.16791 253.7
[M]- 678.16901 253.7
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.