CID 3047348

Ml 1164

Structural Information

Molecular Formula
C21H21ClO7
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OCCOC(=O)C(C)(C)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C21H21ClO7/c1-14(23)28-18-7-5-4-6-17(18)19(24)26-12-13-27-20(25)21(2,3)29-16-10-8-15(22)9-11-16/h4-11H,12-13H2,1-3H3
InChIKey
DPSAIOUKFXLRSO-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

420.0976 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.10488 192.8
[M+Na]+ 443.08682 204.2
[M+NH4]+ 438.13142 197.1
[M+K]+ 459.06076 199.8
[M-H]- 419.09032 193.3
[M+Na-2H]- 441.07227 198.1
[M]+ 420.09705 194.7
[M]- 420.09815 194.7
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

patents stripe