CID 203460

14496-66-3

Structural Information

Molecular Formula
C23H26Cl2O6
SMILES
CC(COC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C23H26Cl2O6/c1-15(29-21(27)23(4,5)31-19-12-8-17(25)9-13-19)14-28-20(26)22(2,3)30-18-10-6-16(24)7-11-18/h6-13,15H,14H2,1-5H3
InChIKey
XBGRDKKBYZSYFW-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-chlorophenoxy)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

468.11066 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.11794 202.6
[M+Na]+ 491.09988 208.4
[M-H]- 467.10338 208.7
[M+NH4]+ 486.14448 212.2
[M+K]+ 507.07382 205.1
[M+H-H2O]+ 451.10792 196.2
[M+HCOO]- 513.10886 210.3
[M+CH3COO]- 527.12451 231.0
[M+Na-2H]- 489.08533 203.2
[M]+ 468.11011 213.8
[M]- 468.11121 213.8
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

patents stripe