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]+ 469.117936 202.6
[M+Na]+ 491.099878 208.4
[M-H]- 467.103384 208.7
[M+NH4]+ 486.144483 212.2
[M+K]+ 507.073818 205.1
[M+H-H2O]+ 451.107920 196.2
[M+HCOO]- 513.108861 210.3
[M+CH3COO]- 527.124511 231.0
[M+Na-2H]- 489.085326 203.2
[M]+ 468.11011142 213.8
[M]- 468.11120858 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