CID 203458

14496-63-0

Structural Information

Molecular Formula
C22H24Cl2O6
SMILES
CC(C)(C(=O)OCCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C22H24Cl2O6/c1-21(2,29-17-9-5-15(23)6-10-17)19(25)27-13-14-28-20(26)22(3,4)30-18-11-7-16(24)8-12-18/h5-12H,13-14H2,1-4H3
InChIKey
SOTYXLLMVQKIQB-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.095 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.10228 202.4
[M+Na]+ 477.08422 214.5
[M+NH4]+ 472.12882 207.4
[M+K]+ 493.05816 208.9
[M-H]- 453.08772 203.1
[M+Na-2H]- 475.06967 208.1
[M]+ 454.09445 205.0
[M]- 454.09555 205.0
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.